SCHEMBL16645207

SCHEMBL16645207

CCC(=O)OCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@@H](NC)[C@@H](C)CC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
ACE P12821 10/20 0.40
ACE2 Q9BYF1 5/20 0.40
PTPN1 P18031 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16645117 1.00 REN (0.40) RENACEACE2PTPN1TSHR
SCHEMBL16645063 0.93 REN (0.41) RENACEACE2PTPN1TSHR
SCHEMBL16645035 0.92 REN (0.42) RENACEACE2TSHRATM
SCHEMBL17381551 0.91 REN (0.41) RENACEACE2PTPN1ATM
SCHEMBL26536406 0.90 REN (0.40) RENACEACE2PTPN1TSHR
SCHEMBL16645137 0.90 REN (0.41) RENACEACE2PTPN1TSHR
SCHEMBL23029760 0.88 ATM (0.46) RENACEACE2ATML3MBTL1
SCHEMBL17346544 0.88 ACE (0.45) ACEACE2ATML3MBTL1
SCHEMBL16645069 0.87 REN (0.40) RENACEACE2PTPN1TSHR
SCHEMBL22810884 0.86 ACE (0.41) ACEACE2ATML3MBTL1

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
WO-2015054669-A1 PROTEIN-POLYMER-DRUG CONJUGATES ASANA BIOSCIENCES, LLC (US) 2015-04-16 WO disclosed