SCHEMBL6423019

SCHEMBL6423019

CCc1ccccc1-c1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
BRD4 O60885 1/20 0.42
AXL P30530 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NAT1 P18440 3/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTPN5 P54829 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL5981739 0.86 PTGER1 (0.42) TRIM24TRIM33BRD4AXLCA12
SCHEMBL29434205 0.85 TP53 (0.43) TRPA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4520753 0.85 TP53 (0.43) TRPA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL6048487 0.84 BACE1 (0.45) TRIM24TRIM33BRD4AXLCA12
SCHEMBL11647426 0.83 PTGER1 (0.53) TRPA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL5490744 0.83 TRIM24 (0.52) TRIM24TRIM33BRD4AXLCA12
Hydrochloric Acid SCHEMBL6048532 0.83 BACE1 (0.44) TRIM24TRIM33BRD4AXLCA12
SCHEMBL1746687 0.82 BRD4 (0.51) TRIM24TRIM33BRD4CA12CA1
SCHEMBL13250832 0.80 TRIM24 (0.53) TRIM24TRIM33BRD4AXLCA12
SCHEMBL3479559 0.79 BRD4 (0.47) TRIM24TRIM33BRD4AXLCA12

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
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed