SCHEMBL15928906

SCHEMBL15928906

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
SYK P43405 1/20 0.59
CTRB1 P17538 2/20 0.55
KLK5 Q9Y337 3/20 0.53
KLK7 P49862 1/20 0.53
APP P05067 4/20 0.52
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
PPARA Q07869 1/20 0.50
ACE P12821 1/20 0.49
MAPT P10636 1/20 0.47
CYP3A4 P08684 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
SCHEMBL14119009 1.00 ATM (0.62) ATMSYKCTRB1KLK5KLK7
SCHEMBL8530583 0.93 ATM (0.56) ATMSYKCTRB1KLK5KLK7
SCHEMBL27878332 0.93 ATM (0.56) ATMSYKCTRB1KLK5KLK7
SCHEMBL7360205 0.90 CTRB1 (0.62) ATMSYKCTRB1APPCTSS
SCHEMBL16232045 0.90 ATM (0.62) ATMSYKCTRB1KLK5APP
SCHEMBL17207697 0.90 SYK (0.59) ATMSYKCTRB1KLK5KLK7
SCHEMBL6685926 0.90 SYK (0.59) ATMSYKCTRB1KLK5KLK7
SCHEMBL1262680 0.90 SYK (0.59) ATMSYKCTRB1KLK5KLK7
SCHEMBL3108565 0.90 SYK (0.59) ATMSYKCTRB1KLK5KLK7
SCHEMBL3276799 0.90 SYK (0.59) ATMSYKCTRB1KLK5KLK7

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
US-8802818-B2 Prostaglandin-F2 alpha receptor modulators and uses thereof LUBELL WILLIAM D (CA) 2014-08-12 US disclosed