SCHEMBL9798914

SCHEMBL9798914

O=C(O)c1ccccc1/C=C/c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.56
▸ TRPM8 Q7Z2W7 1/20 0.56
▸ GRIK1 P39086 1/20 0.55
▸ GRIA1 P42261 1/20 0.55
▸ GRIA2 P42262 1/20 0.55
▸ GRIA3 P42263 1/20 0.55
▸ GRIA4 P48058 1/20 0.55
▸ GRIK2 Q13002 1/20 0.55
▸ GRIK3 Q13003 1/20 0.55
▸ AKR1C3 P42330 1/20 0.50
▸ PTPN1 P18031 4/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ HNF4A P41235 1/20 0.47
▸ PTPN2 P17706 2/20 0.46
▸ PTPN6 P29350 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL10496471 1.00 TRPA1 (0.56) TRPA1TRPM8GRIK1GRIA1GRIA2
SCHEMBL1019981 0.87 GRIK1 (0.58) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL29542528 0.87 GRIK1 (0.58) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL2291774 0.87 GRIK1 (0.58) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL13554389 0.87 GRIK1 (0.58) TRPA1GRIK1GRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL26105180 0.85 GRIK1 (0.56) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL68551 0.84 GRIK1 (0.56) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL68552 0.84 GRIK1 (0.56) TRPA1GRIK1GRIA1GRIA2GRIA3
SCHEMBL70201 0.83 ALDH1A1 (0.62) TRPA1TRPM8GRIK1GRIA1GRIA2
SCHEMBL8902281 0.83 ALDH1A1 (0.62) TRPA1TRPM8GRIK1GRIA1GRIA2

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-0275501-B1 PROCESS FOR THE PREPARATION OF (Z)-2-(2-ARYLETHENYL)-ARYLCARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1991-03-06 — — EP disclosed
US-4857658-A Preparation of (Z)-2-(2-arylethenyl)arylcarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 — — US disclosed
EP-0275501-A1 Process for the preparation of (Z)-2-(2-arylethenyl)-arylcarboxylic acids BASF Aktiengesellschaft (DE) 1988-07-27 — — EP disclosed
Send feedback