SCHEMBL8327466

SCHEMBL8327466

O=C(O)c1ccc(C=CCc2ccc(Cl)cc2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.54
MRGPRX4 Q96LA9 5/20 0.53
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
HPGD P15428 1/20 0.49
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
RXRG P48443 2/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45

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
SCHEMBL8327463 1.00 PTGER1 (0.54) PTGER1MRGPRX4RXRARXRBHPGD
SCHEMBL8325688 0.91 PTGER1 (0.56) PTGER1MRGPRX4RXRARXRBHPGD
SCHEMBL8324745 0.91 PTGER1 (0.56) PTGER1MRGPRX4RXRARXRBHPGD
SCHEMBL8324739 0.91 PTGER1 (0.56) PTGER1MRGPRX4RXRARXRBHPGD
SCHEMBL8322908 0.87 PTGER4 (0.47) PTGER1RXRARXRBHPGDRXRG
SCHEMBL8322906 0.87 PTGER4 (0.47) PTGER1RXRARXRBHPGDRXRG
SCHEMBL8325869 0.84 MRGPRX4 (0.48) PTGER1MRGPRX4PTGER4PTGER3PTGER2
SCHEMBL8325865 0.84 MRGPRX4 (0.48) PTGER1MRGPRX4PTGER4PTGER3PTGER2
SCHEMBL8677413 0.82 PTGER1 (0.54) PTGER1MRGPRX4KDM5AKDM2BKDM4C
SCHEMBL8328295 0.81 MRGPRX4 (0.57) PTGER1MRGPRX4RXRARXRBHPGD

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