SCHEMBL27980745

SCHEMBL27980745

CCCCCCCCc1cc(O)c(OC)c(CCCCCCCC)c1CCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 13/20 0.66
▸ PTGS2 P35354 5/20 0.49
▸ TYR P14679 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTGES O14684 1/20 0.42

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
SCHEMBL10602394 0.83 ALOX5 (0.60) ALOX5PTGS2TYRMEN1TP53
SCHEMBL10511817 0.81 ALOX5 (0.53) ALOX5PTGS2TYRMEN1TP53
SCHEMBL2674937 0.81 ALOX5 (0.53) ALOX5PTGS2TYRMEN1TP53
SCHEMBL28686938 0.81 ALOX5 (0.53) ALOX5PTGS2TYRMEN1TP53
SCHEMBL29596056 0.80 ALOX5 (0.56) ALOX5PTGS2TYRMEN1TP53
SCHEMBL27797308 0.80 NPC1 (0.50) ALOX5PTGS2TYRHTT
SCHEMBL25298183 0.80 ALOX5 (0.58) ALOX5PTGS2TYRMEN1TP53
SCHEMBL11879337 0.80 TYR (0.54) ALOX5PTGS2TYRMEN1TP53
SCHEMBL29278909 0.80 TYR (0.54) ALOX5PTGS2TYRMEN1TP53
SCHEMBL5589077 0.80 ALOX5 (0.58) ALOX5PTGS2TYRMEN1TP53

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
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 — — CN disclosed
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