SCHEMBL11620649

SCHEMBL11620649

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ ACACB O00763 1/20 0.47
▸ ACACA Q13085 1/20 0.47
▸ ALOX5 P09917 1/20 0.40
▸ TBXA2R P21731 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GSTK1 Q9Y2Q3 1/20 0.35
▸ GPR84 Q9NQS5 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
SCHEMBL11615802 0.87 FFAR4 (0.56) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11746247 0.86 FFAR4 (0.51) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11742346 0.86 FFAR4 (0.47) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11656722 0.84 FFAR4 (0.41) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11615130 0.82 FFAR4 (0.57) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11615905 0.82 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11615881 0.82 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11618654 0.82 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL7550732 0.82 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11752741 0.82 FFAR4 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 — — US claimed
US-4097504-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-06-27 — — US disclosed
US-4092356-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-05-30 — — US disclosed
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 — — US disclosed
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
Send feedback