SCHEMBL21962876

SCHEMBL21962876

CCC(C)C(=O)N(C)c1ncc(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.47
UCHL1 P09936 1/20 0.47
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HTR7 P34969 1/20 0.41
KDR P35968 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ACP1 P24666 1/20 0.39
GSTO1 P78417 1/20 0.39
SCD O00767 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MLYCD O95822 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
SCHEMBL980817 0.73 HTR7 (0.50) USP30UCHL1ERCC5FEN1HTR7
SCHEMBL17107113 0.72 RAB9A (0.52) USP30UCHL1HSD17B1HSD17B2ALDH1A1
SCHEMBL1491198 0.72 CHRNB2 (0.46) ALDH1A1HPGDRAB9AHDAC1LMNA
SCHEMBL4758491 0.71 USP30 (0.44) USP30UCHL1KDRHSD17B1HSD17B2
SCHEMBL22988620 0.70 HTR7 (0.44) USP30UCHL1ERCC5FEN1HTR7
SCHEMBL27554467 0.70 KDR (0.44) USP30UCHL1ERCC5FEN1KDR
SCHEMBL25139544 0.68 ERCC5 (0.53) USP30ERCC5FEN1HTR7KDR
SCHEMBL27572553 0.67 MLYCD (0.47) USP30ERCC5FEN1KDRCCNE1
SCHEMBL18620839 0.66 KDR (0.50) USP30ERCC5FEN1KDRCCNE1
SCHEMBL24092052 0.66 KDR (0.44) ERCC5FEN1HTR7KDRCCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102472-A1 METHODS AND COMPOSITIONS RELATED TO TARGETING FFAR2 AND ILC3 POPULATIONS FOR THE TREATMENT OF A GASTROINTESTINAL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-05-22 WO claimed