SCHEMBL4581736

SCHEMBL4581736

CC(C)(C)OC(=O)CCC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
APP P05067 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MIF P14174 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASR P41180 1/20 0.36
BLM P54132 1/20 0.36
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL28970083 0.87 CNR1 (0.45) CNR1CNR2CTSSCTSKCASR
SCHEMBL4581773 0.75 CNR1 (0.38) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL223316 0.75 NAALAD2 (0.53) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL1587126 0.75 MEN1 (0.45) ESR1ESR2ALDH1A1CYP3A4MEN1
SCHEMBL28022209 0.74 RIPK1 (0.57) CTSSCTSK
SCHEMBL14698215 0.74 MIF (0.37) ESR1ESR2CYP3A4CTSSCTSK
SCHEMBL14698374 0.74 MIF (0.37) ESR1ESR2CYP3A4CTSSCTSK
SCHEMBL30877125 0.74 TBXAS1 (0.42) CNR1CNR2CTSKCASR
SCHEMBL12155250 0.73 CTSK (0.40) CTSSCTSK
SCHEMBL10770937 0.73 KMT2A (0.45) ESR1ESR2ALDH1A1CYP3A4MIF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed