SCHEMBL6903056

SCHEMBL6903056

Cc1cccc(-c2ccc(C[C@H](N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
TACR1 P25103 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
NTSR1 P30989 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
MME P08473 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL1768270 0.89 GPR34 (0.51) MAPTNPSR1KDM4EMME
SCHEMBL1768436 0.89 GPR34 (0.51) MAPTNPSR1KDM4EMME
SCHEMBL7328548 0.83 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSS
SCHEMBL10447913 0.83 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSS
SCHEMBL7328544 0.83 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSS
SCHEMBL27936341 0.82 POLB (0.45) POLBTACR1TDP1CTSSCTSK
SCHEMBL1768282 0.81 MME (0.62) POLBPPARATDP1MAPTNPSR1
SCHEMBL1793637 0.81 MME (0.62) POLBPPARATDP1MAPTNPSR1
SCHEMBL1768280 0.81 MME (0.62) POLBPPARATDP1MAPTNPSR1
SCHEMBL15608113 0.81 MME (0.54) PPARGPPARATDP1CTSSCTSK

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
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed