SCHEMBL5149411

SCHEMBL5149411

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PNLIP P16233 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ C5 P01031 1/20 0.37
▸ NPY5R Q15761 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
SCHEMBL4237333 0.89 PKM (0.50) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL5173994 0.88 PKM (0.49) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL5149824 0.88 PKM (0.49) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL4684325 0.87 MAPK1 (0.43) CYP2C9CYP2C19ALDH1A1PNLIPRAB9A
SCHEMBL4228260 0.86 PKM (0.54) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL4238927 0.86 PKM (0.54) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL4236991 0.85 PKM (0.53) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL4228811 0.85 PKM (0.60) PKMTAS1R3TAS1R1ALDH1A1RAB9A
SCHEMBL4240850 0.85 PKM (0.53) PKMTAS1R3TAS1R1PNLIP
SCHEMBL4229305 0.85 PKM (0.60) PKMTAS1R3TAS1R1ALDH1A1RAB9A

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
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 — — WO disclosed
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