SCHEMBL9832038

SCHEMBL9832038

CCOC(=O)CCN(CC(=O)O)c1ccc(C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.37
LTA4H P09960 2/20 0.37
S1PR1 P21453 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL9830873 0.92 PPARG (0.45) SMN1; SMN2USP2MAPK1PPARGMAPT
SCHEMBL10407598 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PPARGMAPTALDH1A1LMNA
SCHEMBL10408080 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PPARGMAPTALDH1A1LMNA
SCHEMBL9831771 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1PPARGMAPTALDH1A1
SCHEMBL10407410 0.84 CETP (0.45) SMN1; SMN2MAPK1PPARGMAPTALDH1A1
SCHEMBL9832100 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1PPARGMAPTALDH1A1
SCHEMBL9829491 0.83 ALDH1A1 (0.43) SMN1; SMN2USP2PPARGALDH1A1LMNA
SCHEMBL9832157 0.83 SMN1; SMN2 (0.60) SMN1; SMN2PPARGALDH1A1ALOX5LTA4H
SCHEMBL9829514 0.83 SMN1; SMN2 (0.50) SMN1; SMN2USP2MAPK1MAPTALDH1A1
SCHEMBL10407589 0.82 SMN1; SMN2 (0.43) SMN1; SMN2PPARGALDH1A1LMNANPC1

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