SCHEMBL9311328

SCHEMBL9311328

O=C(O)CCCCCC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.62
PTGER3 P43115 2/20 0.62
PNMT P11086 1/20 0.56
PTGER2 P43116 3/20 0.51
PTGER1 P34995 2/20 0.49
PTGFR P43088 2/20 0.49
CES2 O00748 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
GRIN2B Q13224 2/20 0.46
ACP3 P15309 1/20 0.46
EPHX1 P07099 1/20 0.44
TBXA2R P21731 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
SCHEMBL2743454 0.94 PNMT (0.59) PTGER4PTGER3PNMTPTGER2PTGER1
SCHEMBL22580526 0.83 PTGFR (0.71) PTGER4PTGER3PTGER2PTGER1PTGFR
SCHEMBL6125008 0.83 PTGFR (0.71) PTGER4PTGER3PTGER2PTGER1PTGFR
SCHEMBL13188360 0.83 PTGFR (0.71) PTGER4PTGER3PTGER2PTGER1PTGFR
SCHEMBL21091379 0.83 PTGFR (0.71) PTGER4PTGER3PTGER2PTGER1PTGFR
SCHEMBL29262298 0.81 HSD11B1 (0.49) PTGER4PTGER3PTGER2PTGFRCES2
SCHEMBL5735415 0.79 PTGER4 (1.00) PTGER4PTGER3PTGER2
SCHEMBL5735404 0.79 PTGER4 (1.00) PTGER4PTGER3PTGER2
SCHEMBL9442115 0.79 PTGER4 (0.46) PTGER4PTGER3PTGER2PTGER1PTGFR
SCHEMBL6907990 0.78 TBXAS1 (0.58) FFAR4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed