SCHEMBL9079276

SCHEMBL9079276

C=CCC(CC=C)(C(C)=O)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.47
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 1/20 0.43
ADAM17 P78536 1/20 0.43
MAOB P27338 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
SCHEMBL12935809 0.81 MAOB (0.48) MRGPRX4MAOB
SCHEMBL9326493 0.76 ALOX5 (0.52) ALOX5MRGPRX4RAB9AADAM17MAOB
SCHEMBL9182358 0.76 ALOX5 (0.53) ALOX5TLR4TLR2RAB9A
SCHEMBL9311274 0.75 ALOX5 (0.53) ALOX5MRGPRX4ADAM17
SCHEMBL278302 0.75 ALOX5 (0.63) ALOX5TLR4TLR2RAB9A
SCHEMBL9583880 0.75 ALOX5 (0.52) ALOX5MRGPRX4
SCHEMBL9081529 0.74 ALOX5 (0.58) ALOX5
SCHEMBL9325937 0.74 ALOX5 (0.57) ALOX5MRGPRX4ADAM17
SCHEMBL9325922 0.74 ALOX5 (0.54) ALOX5
SCHEMBL9311280 0.74 ALOX5 (0.56) ALOX5MRGPRX4ADAM17

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
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed