SCHEMBL8670328

SCHEMBL8670328

CCC(Oc1ccc(N(CC(=O)c2ccc(Cl)cc2)C(=O)O)c(C)c1)c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ EPHX2 P34913 7/20 0.39
▸ ALOX5 P09917 6/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7545137 0.81 RAB9A (0.45) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL7546602 0.74 EPHX2 (0.58) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL7550252 0.71 ALOX5 (0.50) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL7544440 0.68 ALOX5 (0.56) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL7550290 0.67 RAB9A (0.53) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL1010193 0.66 PPARA (0.45) RAB9APPARD
SCHEMBL7547430 0.65 EPHX2 (0.57) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL7544340 0.64 EPHX2 (0.60) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL5513022 0.63 RAB9A (0.42) RAB9AEPHX2ALOX5MAPTALDH1A1
SCHEMBL8668350 0.63 NPC1 (0.52) RAB9AEPHX2ALOX5MAPTALDH1A1

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-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 — — US disclosed
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