SCHEMBL11613594

SCHEMBL11613594

CCCC(O)CCCCCC(CCCCCCC(=O)O)C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.69
▸ FFAR1 O14842 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.53
▸ FAAH O00519 1/20 0.49
▸ TBXA2R P21731 1/20 0.48
▸ PTGFR P43088 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ GPR84 Q9NQS5 7/20 0.47
▸ PPARG P37231 4/20 0.47
▸ PPARD Q03181 4/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ TLR2 O60603 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ FABP4 P15090 1/20 0.47

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
SCHEMBL11617329 0.93 FFAR4 (0.74) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL11618654 0.92 FFAR4 (0.77) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL11615881 0.92 FFAR4 (0.77) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL11615905 0.92 FFAR4 (0.77) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL7550732 0.92 FFAR4 (0.77) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL11619689 0.90 FFAR4 (0.75) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL11613838 0.90 FFAR4 (0.75) FFAR4FFAR1ALDH1A1FAAHGPR84
SCHEMBL1881604 0.89 FFAR4 (0.85) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL1884346 0.89 FFAR4 (0.85) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL1301396 0.89 FFAR4 (0.85) FFAR4FFAR1ALDH1A1GPR84PPARG

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-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
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