SCHEMBL122020

SCHEMBL122020

CCCCOC(=O)Nc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C19 P33261 4/20 0.53
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
ALDH1A1 P00352 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
STAT1 P42224 1/20 0.52
HPGD P15428 6/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 1/20 0.49
MAPK1 P28482 1/20 0.49
MCL1 Q07820 1/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2534597 0.91 HPGD (0.48) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1416126 0.84 HPGD (0.49) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL965267 0.80 TSHR (0.43) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL11485729 0.78 PPARA (0.53)
SCHEMBL5477263 0.78 NPC1 (0.34) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL5476071 0.78 NPC1 (0.34) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL27322302 0.78 RAB9A (0.52) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1232632 0.78 RAB9A (0.48) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL962111 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1415961 0.77 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO disclosed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 WO disclosed
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
WO-2013154774-A1 BLOCK COPOLYMERS FOR STABLE MICELLES INTEZYNE TECHNOLOGIES, INC. (US) 2013-10-17 WO disclosed
EP-2427176-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER Intezyne Technologies Inc. (US) 2012-03-14 EP disclosed
EP-2424359-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER Intezyne Technologies Inc. (US) 2012-03-07 EP disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
WO-2011088405-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-07-21 WO disclosed
WO-2010129581-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-11 WO disclosed
EP-1907444-A2 POLYMERIC MICELLES FOR DRUG DELIVERY Intezyne Technologies Incorporated (US) 2008-04-09 EP disclosed
WO-2008006097-A2 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES LLC (US) 2008-01-10 WO disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
EP-1848460-A2 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS Intezyne Technologies Incorporated (US) 2007-10-31 EP disclosed
EP-1833958-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF Intezyne Technologies Incorporated (US) 2007-09-19 EP disclosed
EP-1807436-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF Intezyne Technologies Incorporated (US) 2007-07-18 EP disclosed
WO-2006107903-A2 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-10-12 WO disclosed
WO-2006086325-A2 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-08-17 WO disclosed
WO-2006074202-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-07-13 WO disclosed
WO-2006047419-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-05-04 WO disclosed