SCHEMBL9830967

SCHEMBL9830967

CCOC(=O)c1ccc(N2CCC(=O)C2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49
HTR7 P34969 1/20 0.47
PRMT1 Q99873 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL9832862 0.89 ALDH1A1 (0.52) SRD5A1SRD5A2PRMT1ALDH1A1CA12
SCHEMBL9832356 0.88 L3MBTL1 (0.54) SRD5A1SRD5A2ALDH1A1KDM4EALOX15
SCHEMBL9830729 0.88 SRD5A1 (0.47) SRD5A1SRD5A2PRMT1ALDH1A1CA12
SCHEMBL9831632 0.86 HSD17B2 (0.53) SRD5A1SRD5A2PRMT1ALDH1A1CA12
SCHEMBL9832735 0.83 ALDH1A1 (0.45) SRD5A1SRD5A2ALDH1A1RARARARB
SCHEMBL9829081 0.81 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL9832169 0.79 PDE3B (0.40) SRD5A1SRD5A2ALDH1A1CA12CA1
SCHEMBL9830197 0.78 MAPT (0.41) SRD5A1SRD5A2ALDH1A1CA12CA1
SCHEMBL9829064 0.78 ALDH1A1 (0.43) SRD5A1SRD5A2PRMT1ALDH1A1CA12
SCHEMBL9830224 0.77 MAPT (0.55) ALDH1A1CA12CA1CA2CA7

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