SCHEMBL4332643

SCHEMBL4332643

CCCCc1ccc(COC(=O)NCc2cccc([C@H](CC(=O)O)OC(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.42
TGM2 P21980 1/20 0.40
PLAU P00749 1/20 0.39
NAAA Q02083 1/20 0.39
ASAH1 Q13510 1/20 0.39
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4334154 0.88 LMNA (0.44) CASP1PLAUCYP3A4CYP2D6CYP2C9
SCHEMBL4342514 0.87 ALDH1A1 (0.42) PLAUCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4329062 0.87 MAPT (0.48) NAAAASAH1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4334667 0.86 NPC1 (0.49) CASP1PLAUCYP3A4CYP2D6CYP2C9
SCHEMBL4328963 0.85 PTGDR2 (0.47)
SCHEMBL4331854 0.83 OPRM1 (0.44) MAPT
SCHEMBL4339537 0.82 HDAC1 (0.40) PLAUCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4337917 0.82 NR3C2 (0.45) TGM2LMNA
SCHEMBL4332639 0.82 PPARG (0.44) TGM2PLAUNAAAASAH1ALDH1A1
SCHEMBL4332646 0.82 PPARG (0.44) TGM2PLAUNAAAASAH1ALDH1A1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed