SCHEMBL11514901

SCHEMBL11514901

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 6/20 0.47
▸ GMNN O75496 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ PMP22 Q01453 1/20 0.46

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
SCHEMBL11513967 0.95 FFAR4 (0.47) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL11514276 0.92 FFAR4 (0.47) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL11513339 0.88 FFAR4 (0.48) MEN1KMT2ATSHRALDH1A1FFAR4
SCHEMBL23288413 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL22589987 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL23860683 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL18770059 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL25297686 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL23565739 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1
SCHEMBL2478497 0.86 MAPK1 (0.64) MAPK1MAPTLMNAGMNNNPSR1

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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