SCHEMBL8409341

SCHEMBL8409341

CCc1ccccc1-c1cc(C(=O)O)ccc1OCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.49
RXRA P19793 8/20 0.49
RXRB P28702 7/20 0.49
RXRG P48443 6/20 0.49
CYP2C9 P11712 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL8409645 0.91 MAPT (0.48) RXRARXRBRXRGCYP2C9MRGPRX4
SCHEMBL8406653 0.89 RXRA (0.61) PTGER1RXRARXRBRXRGCYP2C9
SCHEMBL8797760 0.83 RXRA (0.54) PTGER1RXRARXRBRXRGCYP2C9
SCHEMBL8409338 0.81 PTGER1 (0.53) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL8406725 0.80 RXRA (0.70) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL8406663 0.78 RXRA (0.38) RXRARXRBRXRGMAPT
SCHEMBL8409736 0.77 MAPT (0.55) CYP2C9MAPT
SCHEMBL8406711 0.77 CYP1A2 (0.37) RXRARXRBRXRGMAPT
SCHEMBL28295384 0.77 RXRA (0.52) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL8406707 0.77 SMN1; SMN2 (0.52) PTGER1RXRARXRBRXRGCYP2C9

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
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