SCHEMBL10792006

SCHEMBL10792006

N=C(N)NCCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
PTGER4 P35408 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
FOLH1 Q04609 1/20 0.48
TACR1 P25103 2/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 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
SCHEMBL8595159 1.00 CTSL (0.54) CTSLCTSBCTSSCTSKPTGER4
SCHEMBL10787900 0.96 PTGER4 (0.51) CTSLCTSBCTSSCTSKPTGER4
SCHEMBL10787892 0.96 PTGER4 (0.51) CTSLCTSBCTSSCTSKPTGER4
SCHEMBL18440712 0.95 CPB1 (0.52) CTSLCTSSPTGER4ITGB3ITGAV
SCHEMBL10789375 0.94 CTSL (0.51) CTSLCTSBCTSSCTSK
SCHEMBL10791833 0.94 CTSL (0.51) CTSLCTSBCTSSCTSK
SCHEMBL10787369 0.94 APC (0.51) CTSLCTSBCTSSCTSKCPB1
SCHEMBL10787381 0.94 APC (0.51) CTSLCTSBCTSSCTSKCPB1
SCHEMBL10829274 0.93 PTGER4 (0.56) CTSLPTGER4FOLH1CPB1CPB2
SCHEMBL10829276 0.93 PTGER4 (0.56) CTSLPTGER4FOLH1CPB1CPB2

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
US-4698419-A HEPATITIS, LIVER DISORDERS VSESOJUZNY KARDIOLOGICHESKY NAUCHNY TSENTR AKADEMII MEDITSINSKIKH NAUK SSSR (SU) 1987-10-06 US disclosed