SCHEMBL11513967

SCHEMBL11513967

CCCCCC(CCCC(CCCCCCC(=O)O)S(C)(=O)=O)OC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TSHR P16473 5/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GMNN O75496 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GPR84 Q9NQS5 6/20 0.44
▸ PPARG P37231 6/20 0.44
▸ PPARD Q03181 6/20 0.44

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
SCHEMBL11514901 0.95 MAPK1 (0.49) FFAR4FFAR1MAPK1MAPTTSHR
SCHEMBL11514276 0.92 FFAR4 (0.47) FFAR4FFAR1MAPK1MAPTTSHR
SCHEMBL11513339 0.88 FFAR4 (0.48) FFAR4FFAR1TSHRMEN1KMT2A
SCHEMBL28047150 0.88 FFAR4 (0.59) FFAR4FFAR1MAPK1MAPTTSHR
SCHEMBL11513257 0.86 FFAR4 (0.46) FFAR4FFAR1MAPTTSHRMEN1
SCHEMBL11513686 0.85 FFAR4 (0.44) FFAR4FFAR1MAPTTSHRMEN1
SCHEMBL23288460 0.85 MAPK1 (0.58) FFAR4FFAR1MAPK1MAPTTSHR
SCHEMBL15958553 0.85 FFAR4 (0.62) FFAR4FFAR1MAPTTSHRMEN1
SCHEMBL25297686 0.83 MAPK1 (0.64) FFAR4FFAR1MAPK1MAPTTSHR
SCHEMBL23288413 0.83 MAPK1 (0.64) FFAR4FFAR1MAPK1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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