SCHEMBL7309151

SCHEMBL7309151

CC(C)C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 1/20 0.48
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.44
GRM5 P41594 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL7310030 0.85 MAPT (0.56) SMN1; SMN2KMT2AMAPTCYP3A4EPHX2
SCHEMBL7299800 0.83 HPGD (0.67) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL7302122 0.81 RAB9A (0.56) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL7310744 0.80 HPGD (0.49) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL10608407 0.80 HTT (0.71) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL16742520 0.80 FPR2 (0.57) SMN1; SMN2KMT2AMEN1HPGDFPR2
SCHEMBL16742517 0.80 FPR2 (0.57) SMN1; SMN2KMT2AMEN1HPGDFPR2
SCHEMBL8089265 0.77 ANPEP (0.52) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7305243 0.77 ANPEP (0.52) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL19563374 0.76 UTS2R (0.47) HTTLMNAKMT2AMEN1EPHX2

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