SCHEMBL11615846

SCHEMBL11615846

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.49
▸ TSHR P16473 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ GMNN O75496 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ NR1H4 Q96RI1 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ GLA P06280 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ PPARG P37231 6/20 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
SCHEMBL11615547 0.95 LMNA (0.52) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL11612500 0.92 FFAR4 (0.49) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL28047150 0.90 FFAR4 (0.59) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL11666011 0.89 FFAR4 (0.51) TSHRMAPTMEN1KMT2AFFAR4
SCHEMBL11613557 0.89 FFAR4 (0.51) TSHRMAPTMEN1KMT2AFFAR4
SCHEMBL11745383 0.88 FFAR4 (0.48) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL23288460 0.87 MAPK1 (0.58) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL23565739 0.85 MAPK1 (0.64) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL11107510 0.85 MAPK1 (0.64) MAPK1TSHRMAPTGMNNLMNA
SCHEMBL23288413 0.85 MAPK1 (0.64) MAPK1TSHRMAPTGMNNLMNA

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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