SCHEMBL4334154

SCHEMBL4334154

CC(C)O[C@@H](CC(=O)O)c1cccc(CNC(=O)OCc2ccc(C(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLAU P00749 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 2/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4342514 0.93 ALDH1A1 (0.42) LMNAPLAUALDH1A1CYP3A4CYP2D6
SCHEMBL4334667 0.90 NPC1 (0.49) LMNAKMT2APLAUALDH1A1L3MBTL1
SCHEMBL4328963 0.89 PTGDR2 (0.47) FFAR1
SCHEMBL4332643 0.88 CASP1 (0.42) LMNAPLAUALDH1A1CASP1CYP3A4
SCHEMBL4329062 0.86 MAPT (0.48) ALDH1A1L3MBTL1CYP2C19SMN1; SMN2MAPT
SCHEMBL4331854 0.86 OPRM1 (0.44) L3MBTL1MAPT
SCHEMBL4339537 0.85 HDAC1 (0.40) PLAUALDH1A1L3MBTL1CYP3A4CYP2D6
SCHEMBL4337917 0.85 NR3C2 (0.45) LMNAL3MBTL1BCHE
SCHEMBL4335207 0.83 FFAR1 (0.41) FFAR1
SCHEMBL4343518 0.83 FFAR1 (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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