SCHEMBL8322781

SCHEMBL8322781

C=CCOC(=O)c1ccc(CCCc2cc(OCC=C)ccc2OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.53
PTGER4 P35408 2/20 0.53
PTGER3 P43115 2/20 0.53
PTGER2 P43116 2/20 0.53
MTNR1B P49286 5/20 0.47
MTNR1A P48039 6/20 0.46
BCHE P06276 3/20 0.45
FFAR1 O14842 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL8323711 0.91 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8674867 0.88 MTNR1B (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8674865 0.82 MTNR1A (0.49) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8329639 0.79 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9650328 0.78 NR4A1 (0.60) KMT2A
SCHEMBL8322379 0.78 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL13690613 0.78 NPC1 (0.49) KMT2A
SCHEMBL8325238 0.77 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8325918 0.77 MTNR1B (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8327256 0.77 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2MTNR1B

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 4 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
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