SCHEMBL10448631

SCHEMBL10448631

CCCOC(C)CCc1ccc(-c2ccccc2C(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 5/20 0.41
▸ LTB4R2 Q9NPC1 9/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ CHEK1 O14757 1/20 0.38

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
SCHEMBL10448750 0.88 BRS3 (0.44) BRS3LTB4R2SCN1ASCN2ASCN3A
SCHEMBL10448632 0.86 FOLH1 (0.41) BRS3LTB4R2SCN1ASCN2ASCN3A
SCHEMBL10448895 0.83 PTGS2 (0.44) BRS3MMP12
SCHEMBL8164558 0.81 MMP12 (0.53) MMP12
SCHEMBL10449002 0.80 BRS3 (0.46) BRS3LTB4R2MMP12CHEK1
SCHEMBL8161551 0.79 MMP12 (0.47) MMP12
SCHEMBL10448751 0.77 FOLH1 (0.44) BRS3LTB4R2SCN1ASCN2ASCN3A
SCHEMBL8158421 0.76 ACACB (0.44) MMP12
SCHEMBL8161607 0.76 FOLH1 (0.45) —
SCHEMBL10448535 0.76 BRS3 (0.45) BRS3LTB4R2CHEK1

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-0360622-A2 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-28 — — EP disclosed
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