SCHEMBL8856891

SCHEMBL8856891

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.44
▸ FABP3 P05413 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CLCN2 P51788 3/20 0.40
▸ KDM4C Q9H3R0 1/20 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
▸ TSHR P16473 2/20 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

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
SCHEMBL8856944 0.87 FABP4 (0.48) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL8846631 0.82 TSHR (0.45) FABP4KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9709811 0.79 CLCN2 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10397526 0.79 TSHR (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11021926 0.77 CA1 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9827291 0.77 TSHR (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4592895 0.77 GABRP (0.42) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL28440001 0.76 FABP4 (0.51) FABP4FABP3FABP5KDM4ESMN1; SMN2
SCHEMBL11526133 0.76 CLCN2 (0.53) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL28240220 0.76 GABRP (0.45) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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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