SCHEMBL11615802

SCHEMBL11615802

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.56
▸ FFAR1 O14842 2/20 0.56
▸ ACACB O00763 1/20 0.47
▸ ACACA Q13085 1/20 0.47
▸ TBXA2R P21731 1/20 0.40
▸ PTGFR P43088 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ GSTK1 Q9Y2Q3 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PMP22 Q01453 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
SCHEMBL11620649 0.87 FFAR4 (0.51) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11744959 0.86 FFAR4 (0.54) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11615130 0.86 FFAR4 (0.57) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11615881 0.86 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11615905 0.86 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL7550732 0.86 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11618654 0.86 FFAR4 (0.77) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11613838 0.84 FFAR4 (0.75) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11619689 0.84 FFAR4 (0.75) FFAR4FFAR1FAAHALDH1A1PTPN1
SCHEMBL11613594 0.84 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2

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
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