SCHEMBL7312642

SCHEMBL7312642

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)CNC[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
BCL2 P10415 1/20 0.52
REN P00797 1/20 0.51
PTPN1 P18031 2/20 0.50
ATM Q13315 1/20 0.49
ENPP2 Q13822 1/20 0.47
YAP1 P46937 2/20 0.47
BCHE P06276 2/20 0.46
LTA4H P09960 1/20 0.46
BACE1 P56817 2/20 0.45
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
HDAC8 Q9BY41 1/20 0.45
APP P05067 1/20 0.45

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
SCHEMBL5945448 0.93 REN (0.54) KLK5BCL2RENPTPN1ATM
SCHEMBL13630987 0.93 REN (0.54) KLK5BCL2RENPTPN1ATM
SCHEMBL7302484 0.91 KLK5 (0.52) KLK5BCL2RENPTPN1ATM
SCHEMBL24066704 0.91 KLK5 (0.50) KLK5BCL2RENPTPN1ATM
SCHEMBL7309398 0.91 KLK5 (0.61) KLK5ATMBCHEBACE1PSEN1
SCHEMBL7303561 0.91 KLK5 (0.61) KLK5ATMBCHEBACE1PSEN1
SCHEMBL24066724 0.91 KLK5 (0.50) KLK5BCL2RENPTPN1ATM
SCHEMBL7304740 0.90 KLK5 (0.51) KLK5BCL2RENATMBCHE
SCHEMBL7302660 0.90 KLK5 (0.51) KLK5BCL2RENPTPN1ATM
SCHEMBL7307304 0.89 KLK5 (0.52) KLK5BCL2RENATMENPP2

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
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed