SCHEMBL11745379

SCHEMBL11745379

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ ACACB O00763 1/20 0.45
▸ ACACA Q13085 1/20 0.45
▸ TBXAS1 P24557 2/20 0.40
▸ TBXA2R P21731 1/20 0.36
▸ PTGFR P43088 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11749035 0.87 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11749786 0.87 FFAR4 (0.47) FFAR4FFAR1ACACBACACATBXAS1
SCHEMBL11750363 0.87 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11752741 0.86 FFAR4 (0.50) FFAR4FFAR1ACACBACACATBXAS1
SCHEMBL28351431 0.80 FFAR4 (0.77) FFAR4FFAR1FAAHTSHRALDH1A1
SCHEMBL28679768 0.80 FFAR4 (0.77) FFAR4FFAR1FAAHTSHRALDH1A1
SCHEMBL11615802 0.79 FFAR4 (0.56) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11746322 0.78 FFAR4 (0.44) FFAR4FFAR1TBXAS1TSHRALDH1A1
SCHEMBL28441741 0.77 ACACB (0.56) FFAR4FFAR1ACACBACACAFAAH

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

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