SCHEMBL8575598

SCHEMBL8575598

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)NCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.55
CTSL P07711 2/20 0.55
CTSK P43235 4/20 0.53
PTPN1 P18031 1/20 0.50
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 1/20 0.47
SYK P43405 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
FOLH1 Q04609 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CBX8 Q9HC52 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB8 P28062 1/20 0.46

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
SCHEMBL8575593 1.00 CTSS (0.55) CTSSCTSLCTSKPTPN1IL1RN
SCHEMBL8573218 0.91 MMP8 (0.56) OPRM1OPRD1OPRK1MMP2MMP9
SCHEMBL8572721 0.91 MMP8 (0.56) OPRM1OPRD1OPRK1MMP2MMP9
SCHEMBL8574997 0.89 CDYL2 (0.46) CTSSCTSLCTSKPTPN1OPRM1
SCHEMBL8574999 0.89 CDYL2 (0.46) CTSSCTSLCTSKPTPN1OPRM1
SCHEMBL8571238 0.86 PSMB1 (0.61) CTSSCTSKPTPN1PSMB1PSMB8
SCHEMBL8571242 0.86 PSMB1 (0.61) CTSSCTSKPTPN1PSMB1PSMB8
SCHEMBL8575447 0.85 CTSS (0.53) CTSSCTSLCTSKMMP8PSMB5
Hydrochloric Acid SCHEMBL8571569 0.85 OPRD1 (0.52) CTSSCTSLCTSKPTPN1IL1RN
Hydrochloric Acid SCHEMBL8573389 0.85 OPRD1 (0.52) CTSSCTSLCTSKPTPN1IL1RN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5853713-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1998-12-29 US disclosed
US-5618528-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1997-04-08 US disclosed
CN-1146726-A Block copolymer NYCOMED IMAGING AS (NO) 1997-04-02 CN disclosed
EP-0748226-A1 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1996-12-18 EP disclosed