SCHEMBL10448750

SCHEMBL10448750

CCCOC(C)Cc1ccc(-c2ccccc2C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 6/20 0.44
▸ LTB4R2 Q9NPC1 9/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ PPARA Q07869 2/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL10448631 0.88 BRS3 (0.41) BRS3LTB4R2SCN1ASCN2ASCN3A
SCHEMBL10448751 0.86 FOLH1 (0.44) BRS3LTB4R2BACE1SCN1ASCN2A
SCHEMBL10448899 0.82 PPARG (0.43) PPARAPPARG
SCHEMBL8148623 0.80 MAPT (0.46) PPARAPPARG
Bicarbonate SCHEMBL28004213 0.79 NPC1 (0.47) PPARAPPARG
SCHEMBL10448632 0.78 FOLH1 (0.41) BRS3LTB4R2SCN1ASCN2ASCN3A
Bicarbonate SCHEMBL28036762 0.76 KMT2A (0.54) SCN1ASCN2ASCN3APPARAPPARG
SCHEMBL8716755 0.75 RARB (0.54) —
SCHEMBL2701708 0.75 SIGMAR1 (0.48) —
SCHEMBL8156103 0.75 HSD17B10 (0.49) PPARAPPARG

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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