SCHEMBL9831771

SCHEMBL9831771

CCOC(=O)CCN(CC(=O)O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.39
LTA4H P09960 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9832157 0.90 SMN1; SMN2 (0.60) SMN1; SMN2PPARGPOLBALOX5LTA4H
SCHEMBL8911435 0.89 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPOLBRAB9AALOX5
SCHEMBL10407546 0.89 SMN1; SMN2 (0.46) SMN1; SMN2PPARGPOLBALOX5LTA4H
SCHEMBL10408080 0.89 SMN1; SMN2 (0.46) SMN1; SMN2PPARGPOLBALDH1A1GAA
SCHEMBL10407524 0.89 SMN1; SMN2 (0.46) SMN1; SMN2PPARGPOLBRAB9AALOX5
SCHEMBL9831883 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PPARGPOLBALOX5LTA4H
SCHEMBL9832038 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PPARGRAB9AALOX5LTA4H
SCHEMBL10407598 0.83 SMN1; SMN2 (0.44) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL9829514 0.83 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALOX5LTA4HALDH1A1
SCHEMBL10407410 0.82 CETP (0.45) SMN1; SMN2PPARGALOX5CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed