SCHEMBL8409883

SCHEMBL8409883

Cc1cc(COc2ccc(Br)cc2CCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.53
RXRA P19793 1/20 0.51
CYP1A2 P05177 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR4 Q5NUL3 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
FOLH1 Q04609 1/20 0.47
CCR5 P51681 2/20 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
SCHEMBL8408122 0.85 PTGER1 (0.62) PTGER1RXRACYP1A2FOLH1CCR5
SCHEMBL8409836 0.84 MRGPRX4 (0.56) PTGER1RXRAFFAR4ABCB1ABCG2
SCHEMBL8324067 0.83 ABCB1 (0.53) PTGER1CYP1A2ABCB1ABCG2FOLH1
SCHEMBL8321056 0.83 FOLH1 (0.51) PTGER1CYP1A2FOLH1CCR5
SCHEMBL9276268 0.83 RXRA (0.47) PTGER1RXRACYP1A2FFAR4ABCB1
SCHEMBL8409537 0.81 CCR5 (0.53) PTGER1CYP1A2ABCB1ABCG2CCR5
SCHEMBL8324940 0.81 CCR5 (0.53) PTGER1CYP1A2ABCB1ABCG2CCR5
SCHEMBL8409884 0.81 RXRA (0.49) PTGER1RXRAFFAR4FOLH1
SCHEMBL8406943 0.80 HTR1A (0.65) PTGER1ABCB1ABCG2CCR5
SCHEMBL8325136 0.78 ABCB1 (0.51) PTGER1CYP1A2ABCB1ABCG2CCR5

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-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