SCHEMBL8338463

SCHEMBL8338463

CCCc1ccc(C(=O)OC)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ABL1 P00519 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACACB O00763 4/20 0.44
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 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
SCHEMBL15777897 0.88 ABL1 (0.49) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL20476379 0.88 PPARA (0.57) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL20077738 0.86 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL26270868 0.85 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL23582687 0.84 FFAR4 (0.54) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL29847225 0.84 FFAR4 (0.54) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL1515906 0.83 CA12 (0.51) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL7015377 0.83 ABL1 (0.47) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL23582707 0.83 ABL1 (0.45) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL9472713 0.83 PDK2 (0.44) NPC1RAB9ASMN1; SMN2MAPTCASP3

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
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-5856574-A ANTIISCHEMIC AGENTS; ANTIARRTHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed