SCHEMBL2027416

SCHEMBL2027416

CC(C)(C)c1ccc(CN2CCCC2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.46
CD274 Q9NZQ7 6/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDCD1 Q15116 2/20 0.45
PTGER4 P35408 1/20 0.45
CNR1 P21554 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1816846 1.00 KDM4E (0.52) KDM4EALDH1A1MMP1MMP2MMP9
SCHEMBL1818801 0.86 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2032041 0.86 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21618307 0.86 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10272681 0.84 CD274 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1819166 0.84 CD274 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2036101 0.84 CD274 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2032294 0.82 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19CD274CNR2
SCHEMBL1817183 0.82 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19CD274CNR2
SCHEMBL3148407 0.82 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19CD274CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 US disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20150119330-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-04-30 US disclosed
EP-2844246-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE The Board of Regents of the University of Oklahoma (US) 2015-03-11 EP disclosed
US-8933201-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-01-13 US disclosed
WO-2013166438-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-11-07 WO disclosed
US-20110144037-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-06-16 US disclosed
EP-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed