SCHEMBL8328293

SCHEMBL8328293

O=C(O)c1ccc(C/C=C/c2ccc(Cl)cc2OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.57
PTGER1 P34995 4/20 0.55
RXRA P19793 5/20 0.53
RXRB P28702 4/20 0.53
HPGD P15428 2/20 0.53
RXRG P48443 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NR4A2 P43354 1/20 0.49
PTGER4 P35408 1/20 0.48
PTGER2 P43116 1/20 0.48
CYP2C9 P11712 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL8328295 1.00 MRGPRX4 (0.57) MRGPRX4PTGER1RXRARXRBHPGD
SCHEMBL8327584 0.86 RXRA (0.49) PTGER1RXRARXRBHPGDRXRG
SCHEMBL8327587 0.86 RXRA (0.49) PTGER1RXRARXRBHPGDRXRG
SCHEMBL8324662 0.84 MRGPRX4 (0.49) MRGPRX4PTGER1RXRARXRBHPGD
SCHEMBL8324660 0.84 MRGPRX4 (0.49) MRGPRX4PTGER1RXRARXRBHPGD
SCHEMBL8327463 0.81 PTGER1 (0.54) MRGPRX4PTGER1RXRARXRBHPGD
SCHEMBL8327466 0.81 PTGER1 (0.54) MRGPRX4PTGER1RXRARXRBHPGD
SCHEMBL27639594 0.79 MAPT (0.54) MRGPRX4PTGER1HPGDMAPTKMT2A
SCHEMBL27639595 0.79 MAPT (0.54) MRGPRX4PTGER1HPGDMAPTKMT2A
SCHEMBL8324739 0.79 PTGER1 (0.56) MRGPRX4PTGER1RXRARXRBHPGD

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