SCHEMBL11846250

SCHEMBL11846250

CCCCCCCCC(=O)OCCc1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.55
▸ MAPK14 Q16539 1/20 0.41
▸ DGKA P23743 1/20 0.40
▸ ELANE P08246 2/20 0.36
▸ APP P05067 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL11842537 1.00 AKR1B1 (0.55) AKR1B1MAPK14DGKAELANEAPP
SCHEMBL11839180 1.00 AKR1B1 (0.55) AKR1B1MAPK14DGKAELANEAPP
SCHEMBL11853431 0.99 AKR1B1 (0.56) AKR1B1MAPK14DGKAELANEAPP
SCHEMBL11850825 0.92 AKR1B1 (0.59) AKR1B1MAPK14APP
SCHEMBL11570278 0.87 AKR1B1 (0.64) AKR1B1MAPK14ELANEEPHX2LMNA
SCHEMBL11827878 0.87 AKR1B1 (0.64) AKR1B1MAPK14ELANEEPHX2LMNA
SCHEMBL11570176 0.87 AKR1B1 (0.64) AKR1B1MAPK14ELANEEPHX2LMNA
SCHEMBL11824625 0.87 AKR1B1 (0.64) AKR1B1MAPK14ELANEEPHX2LMNA
SCHEMBL11845419 0.85 AKR1B1 (0.55) AKR1B1MAPK14ELANELMNAACHE
SCHEMBL11851420 0.84 AKR1B1 (0.64) AKR1B1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989839-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US claimed
US-3989839-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
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