SCHEMBL8675286

SCHEMBL8675286

COc1cccc(C(=O)O)c1C=Cc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.54
MRGPRX4 Q96LA9 9/20 0.51
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
CYP2C9 P11712 1/20 0.44
RXRA P19793 1/20 0.44

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
SCHEMBL8674679 0.88 PTGER4 (0.57) PTGER1MRGPRX4CTSVCTSLPTGER4
SCHEMBL8323822 0.77 MRGPRX4 (0.53) PTGER1MRGPRX4CYP2C9
SCHEMBL8323817 0.77 MRGPRX4 (0.53) PTGER1MRGPRX4CYP2C9
SCHEMBL8675284 0.77 PTGER1 (0.58) PTGER1MRGPRX4CTSVCTSLCYP2C9
SCHEMBL8675272 0.76 PTGER1 (0.55) PTGER1MRGPRX4CTSVCTSL
SCHEMBL15726358 0.76 MRGPRX4 (0.60) PTGER1MRGPRX4CYP2C9RXRA
SCHEMBL8675280 0.75 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8677553 0.75 PTGER1 (0.59) PTGER1MRGPRX4CTSVCTSLPTGER4
SCHEMBL2316936 0.75 NFE2L2 (0.53) CYP2C9
SCHEMBL2686912 0.75 NFE2L2 (0.53) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed