SCHEMBL3483665

SCHEMBL3483665

CC(NC(=O)OCc1ccccc1)[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSK P43235 3/20 0.47
MGLL Q99685 1/20 0.47
ATM Q13315 1/20 0.46
CTSS P25774 3/20 0.46
TACR1 P25103 2/20 0.45
CYP3A4 P08684 5/20 0.44
TSHR P16473 5/20 0.44
CYP2C9 P11712 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 3/20 0.44
LMNA P02545 2/20 0.44
ELANE P08246 1/20 0.44
CYP1A2 P05177 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1053887 1.00 CTSL (0.47) CTSLCTSKMGLLATMCTSS
SCHEMBL1053889 1.00 CTSL (0.47) CTSLCTSKMGLLATMCTSS
SCHEMBL13394496 1.00 CTSL (0.47) CTSLCTSKMGLLATMCTSS
SCHEMBL11982545 1.00 CTSL (0.47) CTSLCTSKMGLLATMCTSS
SCHEMBL17212301 0.93 CTSK (0.44) CTSLCTSKMGLLATMCTSS
SCHEMBL30528502 0.93 CTSL (0.44) CTSLCTSKMGLLATMCTSS
SCHEMBL13905599 0.87 TACR1 (0.48) CTSLCTSKMGLLATMCTSS
SCHEMBL11982585 0.84 ATM (0.49) CTSLCTSKATMCTSSCYP3A4
SCHEMBL1643734 0.84 ATM (0.49) CTSLCTSKATMCTSSCYP3A4
SCHEMBL1643736 0.84 ATM (0.49) CTSLCTSKATMCTSSCYP3A4

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
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed