SCHEMBL7310030

SCHEMBL7310030

CC(C)C[C@H](OC(=O)Nc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
UTS2R Q9UKP6 5/20 0.46
FOLH1 Q04609 2/20 0.45
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KLK7 P49862 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7310744 0.87 HPGD (0.49) MAPTFOLH1HPGDALOX15CYP1A2
SCHEMBL16742520 0.86 FPR2 (0.57) FOLH1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL16742517 0.86 FPR2 (0.57) FOLH1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL7309151 0.85 HTT (0.53) MAPTHPGDEPHX2SMN1; SMN2ALDH1A1
SCHEMBL7299800 0.84 HPGD (0.67) MAPTHPGDALOX15CYP1A2CYP2C9
SCHEMBL1406054 0.83 MAPT (0.52) MAPTUTS2REPHX2CYP1A2CYP2D6
SCHEMBL4472986 0.83 MAPT (0.52) MAPTUTS2REPHX2CYP1A2CYP2D6
SCHEMBL8320803 0.83 MAPT (0.52) MAPTUTS2REPHX2CYP1A2CYP2D6
SCHEMBL19563374 0.82 UTS2R (0.47) UTS2REPHX2NPC1RAB9AL3MBTL1
SCHEMBL16742479 0.82 UTS2R (0.47) UTS2REPHX2NPC1RAB9AL3MBTL1

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
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed