SCHEMBL23447158

SCHEMBL23447158

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.60
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
ACE P12821 1/20 0.51
PSMB5 P28074 3/20 0.49
AKT1 P31749 1/20 0.49

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
SCHEMBL23447618 0.92 REN (0.52) RENCTSSCTSKCTSBCTSL
SCHEMBL22026259 0.89 CTSS (0.64) RENCTSSCTSKCTSBCTSL
SCHEMBL26835279 0.89 REN (0.62) RENCTSSCTSKCTSBCTSL
SCHEMBL11085637 0.89 REN (0.65) RENCTSSCTSKCTSBCTSL
SCHEMBL22301082 0.88 CTSS (0.54) RENCTSSCTSKCTSBCTSL
SCHEMBL23463473 0.88 REN (0.69) RENCTSSCTSKCTSBCTSL
SCHEMBL22300786 0.88 REN (0.64) RENCTSSCTSKCTSBCTSL
SCHEMBL24084059 0.88 REN (0.64) RENCTSSCTSKCTSBCTSL
SCHEMBL30692461 0.88 REN (0.64) RENCTSSCTSKCTSBCTSL
SCHEMBL21219323 0.88 REN (0.68) RENCTSSCTSKCTSBCTSL

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-2021109351-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 重庆阿普格雷生物科技有限公司 2021-06-10 WO disclosed
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