SCHEMBL22301082

SCHEMBL22301082

CCCC(C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
PTPN1 P18031 2/20 0.53
ACE P12821 1/20 0.53
REN P00797 3/20 0.52
AKT1 P31749 1/20 0.48
POLB P06746 1/20 0.47
KLK5 Q9Y337 1/20 0.47
PSMB5 P28074 1/20 0.47
OPRD1 P41143 5/20 0.47
CCKBR P32239 3/20 0.47
CCKAR P32238 3/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL23447158 0.88 REN (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL22301095 0.84 CTSS (0.52) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL7408909 0.84 CTSS (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL20216484 0.84 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL20030538 0.84 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18154504 0.83 ACE (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL30487469 0.83 ACE (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL10688353 0.83 ACE (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL23447618 0.83 REN (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL24084059 0.83 REN (0.64) CTSSCTSKCTSBCTSLACE

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
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
WO-2020155497-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2020-08-06 WO disclosed