SCHEMBL8409907

SCHEMBL8409907

CCc1ccccc1-c1cc(Br)ccc1OCc1ccc(C(=O)OC)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.40
MC4R P32245 3/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 2/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR5 P51681 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMPD1 P17405 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL8406037 0.90 PTGER1 (0.47) PTGER1SYKAURKBINCENPCYP2C9
SCHEMBL8409540 0.85 CCR5 (0.53) PTGER1SMN1; SMN2MEN1KMT2ACCR5
SCHEMBL8409906 0.80 CCR6 (0.44) PTGER1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL8324992 0.76 CCR5 (0.48) PTGER1SMN1; SMN2ALDH1A1CCR5HDAC8
SCHEMBL4550597 0.75 KMT2A (0.50) HSD17B10SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL28413229 0.74 CYSLTR1 (0.53) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8406895 0.74 MAPT (0.51) SMN1; SMN2MEN1KMT2ACCR5HDAC8
SCHEMBL8406707 0.73 SMN1; SMN2 (0.52) PTGER1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14541425 0.72 MAPK1 (0.50) ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8406676 0.72 MAPT (0.59) SMN1; SMN2MEN1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed