SCHEMBL9830890

SCHEMBL9830890

CCOC(=O)CCN(CC(=O)O)Cc1cc(C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NLRP3 Q96P20 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALOX5 P09917 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
LTA4H P09960 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
SCHEMBL9831046 0.92 NLRP3 (0.43) SMN1; SMN2NLRP3MAPTALDH1A1POLB
SCHEMBL9830888 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NLRP3MAPTALDH1A1MEN1
SCHEMBL9831206 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL9830592 0.81 KMT2A (0.44) SMN1; SMN2ALDH1A1KMT2AALOX5LTA4H
SCHEMBL9829350 0.79 ALOX5 (0.50) SMN1; SMN2ALDH1A1POLBKMT2AHSD17B10
SCHEMBL9831033 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9829851 0.78 HSD17B10 (0.51) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL9830346 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NLRP3MAPTALDH1A1MEN1
SCHEMBL9831173 0.78 ACHE (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL9832327 0.77 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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