SCHEMBL4743348

SCHEMBL4743348

O=[N+]([O-])c1ccc(C(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 1/20 0.58
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CES1 P23141 1/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
NPC1 O15118 1/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50

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
SCHEMBL8003498 0.86 CA1 (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5703968 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18293567 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27298149 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28372644 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1317230 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3917351 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15499832 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL298339 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10783262 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116054-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2016-07-28 WO disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed
US-6294659-B1 NUCLEOSIDE ANALOG THAT CAN BE ENZYMATICALLY INCORPORATED INTO A NUCLEIC ACID CHAIN AND THEN ACTIVATED FOR CLEAVAGE OF THAT CHAIN DUKE UNIVERSITY 2001-09-25 US disclosed
WO-2000004036-A9 PHOTOCLEAVABLE NUCLEOSIDE BASE UNIV DUKE (US) 2000-07-06 WO disclosed
WO-2000004036-A1 PHOTOCLEAVABLE NUCLEOSIDE BASE DUKE UNIVERSITY (US) 2000-01-27 WO disclosed
EP-0635483-B1 Process for preparing nitroaniline derivatives SUMITOMO CHEMICAL CO (JP) 1997-10-22 EP disclosed
EP-0280975-B1 PROCESSES FOR THE PRODUCTION OF SUBSTITUTED BENZALDEHYDES, AND INTERMEDIATE PRODUCTS OBTAINED BY THESE PROCESSES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-08 EP disclosed
EP-0280975-A1 Processes for the production of substituted benzaldehydes, and intermediate products obtained by these processes F. HOFFMANN-LA ROCHE AG (CH) 1988-09-07 EP disclosed