SCHEMBL9830274

SCHEMBL9830274

CCOC(=O)CCN(CC(=O)O)c1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
NLRP3 Q96P20 2/20 0.39
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LTA4H P09960 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL9830935 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EGLAHPGD
SCHEMBL9830346 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EGLAHPGD
SCHEMBL9829742 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALOX5ALDH1A1LTA4H
SCHEMBL9832361 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EGLAHPGD
SCHEMBL341221 0.81 KEAP1 (0.46) SMN1; SMN2KDM4EKMT2ATSHRKEAP1
SCHEMBL9831566 0.81 NLRP3 (0.44) SMN1; SMN2MAPTKDM4EGLAHPGD
SCHEMBL9831771 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTSHRALOX5ALDH1A1
SCHEMBL9831773 0.80 SMN1; SMN2 (0.39) SMN1; SMN2MAPTHPGDKMT2AALOX5
SCHEMBL10408297 0.80 HPGD (0.41) SMN1; SMN2MAPTHPGDKMT2ATSHR
SCHEMBL10407586 0.80 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM4EKMT2ATSHR

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