SCHEMBL8322261

SCHEMBL8322261

COc1ccc(CCCc2ccc(C(=O)O)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.70
PTGER4 P35408 1/20 0.70
PTGER3 P43115 1/20 0.70
PTGER2 P43116 1/20 0.70
RXRA P19793 2/20 0.56
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1B P49286 2/20 0.55
MTNR1A P48039 3/20 0.54
ABCB1 P08183 2/20 0.54
PPARA Q07869 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL8321843 0.88 PTGER1 (0.81) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8320717 0.86 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8676630 0.85 MTNR1A (0.55) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL8406718 0.84 ABCB1 (0.63) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319623 0.84 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321728 0.83 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319420 0.83 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8459732 0.81 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8676634 0.81 MTNR1B (0.57) MTNR1BMTNR1AABCB1PPARATDP1
SCHEMBL8326500 0.81 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2RXRA

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP 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