SCHEMBL9830873

SCHEMBL9830873

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
AR P10275 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
S1PR1 P21453 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 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
SCHEMBL9832038 0.92 SMN1; SMN2 (0.45) PPARGSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL9832874 0.83 CETP (0.47) PPARGSMN1; SMN2ARALDH1A1LMNA
SCHEMBL9831307 0.83 PPARG (0.43) PPARGSMN1; SMN2ARALDH1A1LMNA
SCHEMBL9831443 0.82 PPARG (0.50) PPARGSMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL9831449 0.81 SMN1; SMN2 (0.61) PPARGSMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL9829879 0.81 SMN1; SMN2 (0.43) PPARGSMN1; SMN2ARCYP4F2CYP4A11
SCHEMBL9832767 0.80 PPARG (0.62) PPARGSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL20322977 0.79 USP2 (0.41) PPARGSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL9831566 0.79 NLRP3 (0.44) PPARGSMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL9830030 0.78 SMN1; SMN2 (0.41) PPARGSMN1; SMN2ARALDH1A1LMNA

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 2 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 claimed
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 claimed