SCHEMBL10448751

SCHEMBL10448751

CCCOC(C)Cc1ccc(-c2ccccc2)c(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.44
▸ SCN1A P35498 2/20 0.40
▸ SCN2A Q99250 2/20 0.40
▸ SCN3A Q9NY46 2/20 0.40
▸ PPARA Q07869 5/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ PPARG P37231 4/20 0.38
▸ BRS3 P32247 2/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ PLA2G10 O15496 3/20 0.36
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G12B Q9BX93 1/20 0.36
▸ PLA2G12A Q9BZM1 1/20 0.36
▸ PLA2G2F Q9BZM2 1/20 0.36
▸ PLA2G3 Q9NZ20 1/20 0.36

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
SCHEMBL10448632 0.89 FOLH1 (0.41) FOLH1SCN1ASCN2ASCN3APPARA
SCHEMBL10448750 0.86 BRS3 (0.44) SCN1ASCN2ASCN3APPARALTB4R2
SCHEMBL10448900 0.83 BACE1 (0.43) PPARAPPARGBACE1
SCHEMBL10448631 0.77 BRS3 (0.41) SCN1ASCN2ASCN3ALTB4R2BRS3
Bicarbonate SCHEMBL28036762 0.75 KMT2A (0.54) FOLH1SCN1ASCN2ASCN3APPARA
Bicarbonate SCHEMBL28004213 0.75 NPC1 (0.47) PPARAPPARG
SCHEMBL10448899 0.74 PPARG (0.43) PPARAPPARG
SCHEMBL10449003 0.74 FOLH1 (0.48) FOLH1LTB4R2LTB4RBRS3
SCHEMBL8148623 0.73 MAPT (0.46) PPARAPPARG
SCHEMBL10448896 0.73 BACE1 (0.41) PPARAPPARGBACE1

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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