SCHEMBL5200510

SCHEMBL5200510

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL27561654 1.00 PTPN1 (0.44) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL5205166 0.88 CASP3 (0.48) CTSLCTSBCTSSCTSKMDM4
SCHEMBL27571135 0.88 CASP3 (0.48) CTSLCTSBCTSSCTSKMDM4
SCHEMBL5201715 0.86 CASP3 (0.44) CTSLCTSBCTSSCTSKCASP3
SCHEMBL5201718 0.86 CASP3 (0.44) CTSLCTSBCTSSCTSKCASP3
SCHEMBL27561296 0.86 CASP3 (0.44) CTSLCTSBCTSSCTSKCASP3
SCHEMBL8008213 0.81 TNF (0.43) PTPN1MDM4TP53CASP3
SCHEMBL4631066 0.81 PSEN1 (0.54) CTSLCTSBCTSSCTSK
SCHEMBL5532444 0.81 PSEN1 (0.54) CTSLCTSBCTSSCTSK
SCHEMBL3492066 0.81 PSEN1 (0.54) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed