SCHEMBL8833732

SCHEMBL8833732

CCC(C=O)c1ccc(C(=O)OC)c(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ GAA P10253 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL27316459 0.80 ALDH1A1 (0.51) KMT2AALDH1A1CA12CA1CA2
SCHEMBL8833725 0.80 KDM4E (0.44) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL10632616 0.75 CA12 (0.47) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL21090566 0.75 CA12 (0.47) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL9199508 0.75 LMNA (0.47) KDM4EKMT2AALDH1A1LMNACA1
SCHEMBL5170999 0.74 CA12 (0.46) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL10610201 0.74 CA12 (0.46) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL13332007 0.73 ALDH1A1 (0.56) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL13144224 0.73 ALDH1A1 (0.44) KDM4EKMT2AALDH1A1LMNACA12
SCHEMBL28758212 0.72 CA12 (0.44) KDM4EKMT2AALDH1A1LMNACA12

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
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 — — US disclosed
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