SCHEMBL9456723

SCHEMBL9456723

CCCCCCCCC(O)CCCCc1ccccc1CCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.69
▸ FFAR1 O14842 2/20 0.69
▸ CYSLTR2 Q9NS75 7/20 0.65
▸ CYSLTR1 Q9Y271 7/20 0.65
▸ PTGER1 P34995 1/20 0.57
▸ PTGER4 P35408 1/20 0.57
▸ PTGER3 P43115 1/20 0.57
▸ S1PR2 O95136 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ SCD O00767 1/20 0.50
▸ LTB4R Q15722 1/20 0.49

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
SCHEMBL9529521 1.00 FFAR4 (0.69) FFAR4FFAR1CYSLTR2CYSLTR1PTGER1
SCHEMBL27262058 0.89 CYSLTR2 (0.68) FFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL25170031 0.89 CYSLTR2 (0.68) FFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL9319505 0.88 CYSLTR2 (0.73) FFAR4FFAR1CYSLTR2CYSLTR1PTGER1
SCHEMBL28879347 0.85 CYSLTR2 (0.55) FFAR4FFAR1CYSLTR2CYSLTR1PTGER1
Toluene SCHEMBL7506822 0.85 FFAR4 (0.73) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL10435206 0.83 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL12086495 0.83 LTB4R (0.63) FFAR4FFAR1CYSLTR2CYSLTR1SCD
Benzoic Acid SCHEMBL5273790 0.83 FFAR4 (0.69) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL25190974 0.83 FFAR4 (1.00) FFAR4FFAR1

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
EP-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 — — EP claimed
US-5196570-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-23 — — US claimed
EP-0419610-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS. SCHERING AG (DE) 1991-04-03 — — EP claimed
WO-1990011271-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-10-04 — — WO claimed
EP-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 — — EP disclosed
EP-0419610-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS. SCHERING AG (DE) 1991-04-03 — — EP disclosed
WO-1990011271-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-10-04 — — WO disclosed
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