SCHEMBL7810073

SCHEMBL7810073

O=C(N[C@@H](CSc1ccccc1)C(=O)O)OCc1ccccc1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.61
PPARA Q07869 3/20 0.60
PPARG P37231 1/20 0.60
CA2 P00918 1/20 0.58
CTSK P43235 3/20 0.50
TACR1 P25103 2/20 0.50
MMP13 P45452 2/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTRB1 P17538 2/20 0.49
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48

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
SCHEMBL7810068 1.00 CASP1 (0.61) CASP1PPARAPPARGCA2CTSK
SCHEMBL1541597 0.99 CASP1 (0.62) CASP1PPARAPPARGCA2CTSK
SCHEMBL4973400 0.99 CASP1 (0.62) CASP1PPARAPPARGCA2CTSK
SCHEMBL6487973 0.99 CASP1 (0.62) CASP1PPARAPPARGCA2CTSK
SCHEMBL7309224 0.89 PPARA (0.55) CASP1PPARAPPARGCA2CTSK
SCHEMBL7309215 0.89 PPARA (0.55) CASP1PPARAPPARGCA2CTSK
SCHEMBL7564546 0.88 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL6576404 0.88 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL4968729 0.88 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL7810070 0.87 CA2 (0.61) CASP1PPARAPPARGCA2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320072-B1 SALTING OUT N-PROTECTED-S-PHENYLCYSTEINE IN FORM OF BASE SALT IN PRESENCE OF WATER KANEKA CORPORATION (JP) 2001-11-20 US disclosed
EP-1067119-A1 METHOD FOR ISOLATION OF N-PROTECTED S-PHENYLCYSTEINE KANEKA CORPORATION (JP) 2001-01-10 EP disclosed