SCHEMBL8856944

SCHEMBL8856944

CCc1c(C(=O)O)ccc(NC)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 3/20 0.48
▸ FABP3 P05413 2/20 0.48
▸ FABP5 Q01469 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CLCN2 P51788 3/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 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
SCHEMBL8856891 0.87 FABP4 (0.44) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL21722984 0.84 KDM4E (0.54) FABP4KDM4EALDH1A1MEN1KMT2A
SCHEMBL8846631 0.82 TSHR (0.45) FABP4KDM4EALDH1A1MEN1KMT2A
SCHEMBL4592895 0.80 GABRP (0.42) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL3256019 0.79 TSHR (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1365495 0.79 CA1 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5925607 0.76 GABRP (0.45) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11526133 0.76 CLCN2 (0.53) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL294836 0.75 CYP1A2 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6972148 0.73 CLCN2 (0.40) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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-5698556-A TREATING CANCER CHAN CARCY L (US) 1997-12-16 — — US disclosed
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