SCHEMBL8324067

SCHEMBL8324067

COc1cc(CCc2cc(Br)ccc2OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
PTGER1 P34995 5/20 0.50
CYP1A2 P05177 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
APP P05067 1/20 0.49
FOLH1 Q04609 1/20 0.49
CCR5 P51681 3/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LRRK2 Q5S007 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL8325136 0.92 ABCB1 (0.51) ABCB1ABCG2PTGER1CYP1A2MTNR1A
SCHEMBL8318400 0.88 ABCB1 (0.65) ABCB1ABCG2PTGER1PPARGPPARA
SCHEMBL8321056 0.87 FOLH1 (0.51) PTGER1CYP1A2FOLH1CCR5
SCHEMBL8409883 0.83 PTGER1 (0.53) ABCB1ABCG2PTGER1CYP1A2FOLH1
SCHEMBL8322935 0.83 CCR5 (0.49) PTGER1CYP1A2CCR5LRRK2
SCHEMBL8408122 0.82 PTGER1 (0.62) PTGER1CYP1A2FOLH1CCR5
SCHEMBL8324805 0.81 PTGER1 (0.49) PTGER1CYP1A2MTNR1AMTNR1BFOLH1
SCHEMBL8323025 0.81 PTGER4 (0.65) ABCB1ABCG2PTGER1MTNR1AMTNR1B
SCHEMBL8324940 0.80 CCR5 (0.53) ABCB1ABCG2PTGER1CYP1A2CCR5
SCHEMBL8409537 0.80 CCR5 (0.53) ABCB1ABCG2PTGER1CYP1A2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed