SCHEMBL11752741

SCHEMBL11752741

CC(=O)C(Cl)(CCCCCCC(=O)O)CCCC(O)CCCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.50
▸ FFAR1 O14842 2/20 0.50
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ ALOX5 P09917 1/20 0.39
▸ PTGER2 P43116 4/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ PTGFR P43088 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ PTGER4 P35408 4/20 0.35
▸ PTGER3 P43115 4/20 0.35
▸ PTGER1 P34995 1/20 0.35

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
SCHEMBL11751086 0.87 FFAR4 (0.69) FFAR4FFAR1PTGER2TBXA2RPTGFR
SCHEMBL11750363 0.87 FFAR4 (0.69) FFAR4FFAR1PTGER2TBXA2RPTGFR
SCHEMBL11749035 0.87 FFAR4 (0.69) FFAR4FFAR1PTGER2TBXA2RPTGFR
SCHEMBL11745379 0.86 FFAR4 (0.49) FFAR4FFAR1ACACBACACAPTGER2
SCHEMBL11749786 0.84 FFAR4 (0.47) FFAR4FFAR1ACACBACACAPTGER2
SCHEMBL11746247 0.84 FFAR4 (0.51) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11620649 0.82 FFAR4 (0.51) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11787985 0.78 FFAR4 (0.48) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11516521 0.78 FFAR4 (0.50) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11514239 0.77 FFAR4 (0.49) FFAR4FFAR1ACACBACACAALOX5

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
US-4059601-A VASODILATION, HYPOTENSIVE, ANTITHROMBOSIS MERCK & CO., INC. (US) 1977-11-22 — — US disclosed
US-4059602-A HYPOTENSIVE, VASODILATION, ANTITHROMBOSIS MERCK & CO., INC. (US) 1977-11-22 — — US disclosed
US-3991087-A RENAL VASODILATORS, HYPOTENSIVE AGENTS, ANTITHROMBOTICS MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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