SCHEMBL11850825

SCHEMBL11850825

CCCC(=O)OCCc1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.59
▸ MAPK14 Q16539 1/20 0.43
▸ APP P05067 2/20 0.39
▸ ALOX5 P09917 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11853431 0.93 AKR1B1 (0.56) AKR1B1MAPK14APP
SCHEMBL11842537 0.92 AKR1B1 (0.55) AKR1B1MAPK14APP
SCHEMBL11846250 0.92 AKR1B1 (0.55) AKR1B1MAPK14APP
SCHEMBL11839180 0.92 AKR1B1 (0.55) AKR1B1MAPK14APP
SCHEMBL11850765 0.92 AKR1B1 (0.61) AKR1B1MAPK14APPALDH1A1
SCHEMBL11851420 0.87 AKR1B1 (0.64) AKR1B1MAPK14ALDH1A1
SCHEMBL11820581 0.85 AKR1B1 (0.68) AKR1B1MAPK14ALDH1A1
SCHEMBL11849557 0.85 AKR1B1 (0.61) AKR1B1MAPK14ALDH1A1
SCHEMBL11844478 0.84 AKR1B1 (0.59) AKR1B1MAPK14ALDH1A1
SCHEMBL11570176 0.82 AKR1B1 (0.64) AKR1B1MAPK14ALDH1A1

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 1 patent. 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 disclosed
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