SCHEMBL11513584

SCHEMBL11513584

CCCOCC(O)CCCC(CCCCCCC(=O)O)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GPR84 Q9NQS5 5/20 0.39
▸ TBXA2R P21731 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ PLA2G2C Q5R387 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 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
SCHEMBL10728789 0.85 FFAR4 (0.73) FFAR4FFAR1ALDH1A1GPR84FAAH
SCHEMBL11515906 0.85 FFAR4 (0.73) FFAR4FFAR1ALDH1A1GPR84FAAH
SCHEMBL11515005 0.85 FFAR4 (0.73) FFAR4FFAR1ALDH1A1GPR84FAAH
SCHEMBL11662319 0.81 FFAR4 (0.54) FFAR4FFAR1ALDH1A1TBXAS1CYP1A2
SCHEMBL11731428 0.81 FFAR4 (0.47) FFAR4FFAR1ALDH1A1TBXAS1CYP1A2
SCHEMBL9629085 0.80 FFAR4 (0.70) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL15958553 0.80 FFAR4 (0.62) FFAR4FFAR1ALDH1A1GPR84TSHR
SCHEMBL9630851 0.79 FFAR4 (0.67) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL9628887 0.79 FFAR4 (0.67) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL28747247 0.79 FFAR4 (0.67) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 — — US claimed
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 — — US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 — — US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 — — US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 — — US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 — — US disclosed
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