SCHEMBL9317843

SCHEMBL9317843

CCc1ccc(CSc2c(C)cccc2C(=O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
PKM P14618 2/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PPARG P37231 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
SCHEMBL9170004 0.91 SMN1; SMN2 (0.49) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL9523771 0.79 ALDH1A1 (0.51) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL9170254 0.78 NPSR1 (0.41) SMN1; SMN2L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL8822600 0.77 L3MBTL1 (0.58) SMN1; SMN2L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL9169891 0.76 SMN1; SMN2 (0.45) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL9169904 0.76 SMN1; SMN2 (0.45) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL27317023 0.74 NPC1 (0.44) SMN1; SMN2L3MBTL1KMT2AALDH1A1PKM
SCHEMBL9168779 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL9168771 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TP53L3MBTL1KMT2AKDM4E
SCHEMBL8636885 0.72 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1KMT2AALDH1A1PKM

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
EP-0606228-A1 PROPENOIC ACID DERIVATIVES. AGREVO UK LTD (GB) 1994-07-20 EP disclosed