SCHEMBL19988012

SCHEMBL19988012

C=CC(OC(=O)O)c1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ BCAT2 O15382 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ FGFR4 P22455 2/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL2886387 0.75 CYP2C19 (0.43) KMT2AALDH1A1HPGDHDAC4HDAC2
SCHEMBL19988022 0.75 PDCD1 (0.42) HNF4AKMT2ABCAT2HTTGAA
SCHEMBL9241746 0.72 BACE1 (0.39) KMT2ABCAT2HTTALDH1A1MEN1
SCHEMBL27961280 0.69 ESR1 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL7849398 0.68 POLB (0.45) KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL29106788 0.67 ALDH1A1 (0.34) KMT2AHTTALDH1A1HPGDBCL2L1
SCHEMBL726874 0.66 KMT2A (0.44) HNF4AKMT2ABCAT2ALDH1A1HPGD
SCHEMBL4660668 0.66 TSHR (0.32) KMT2AALDH1A1SMN1; SMN2SRC
SCHEMBL10339969 0.66 FOLH1 (0.43) HNF4AKMT2ABCAT2HTTALDH1A1
SCHEMBL28822673 0.66 ADRB2 (0.34) KMT2ABCAT2HTTGAAALDH1A1

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-3012896-B1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES (JP) 2018-03-28 — — EP claimed
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