SCHEMBL7276245

SCHEMBL7276245

NC(=O)O[C@@H](Cc1ccc2ccccc2c1)C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PPARD Q03181 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MC5R P33032 4/20 0.41
MC1R Q01726 3/20 0.41
DPP4 P27487 1/20 0.39
MC4R P32245 2/20 0.39
MMP1 P03956 1/20 0.39
MC3R P41968 1/20 0.39
FCER2 P06734 1/20 0.38
CYP1A2 P05177 1/20 0.38
EPHX1 P07099 1/20 0.38
TACR1 P25103 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
SCHEMBL7276239 1.00 PPARG (0.45) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL10874175 0.83 SRR (0.51) PPARGPPARAEPHX1
SCHEMBL27949321 0.83 SRR (0.51) PPARGPPARAEPHX1
SCHEMBL28535787 0.78 MMP1 (0.44) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL7277361 0.77 HTR2A (0.43) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL7277354 0.77 HTR2A (0.43) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL7274093 0.77 PPARG (0.41) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL7274085 0.77 PPARG (0.41) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL8482123 0.77 FCER2 (0.51) PPARGPPARAMC5RMC1RMMP1
SCHEMBL7291165 0.73 HTR2A (0.39) PPARGPPARAHTR2AHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620987-A Amino acid derivatives HOFFMANN-LA ROCHE INC. (US) 1997-04-15 US disclosed
US-5554756-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1996-09-10 US disclosed
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed
US-5157041-A Viricides HOFFMANN-LA ROCHE INC. (US) 1992-10-20 US disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP disclosed