Ethane

Ethane

SCHEMBL28057883

CC.CCCCc1cc(C)c(C)c(O)c1OC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 12/20 0.43
▸ PTGS2 P35354 4/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ TYR P14679 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL27723120 0.80 ALOX5 (0.37) ALOX5PTGS2CNR2MAOATYR
SCHEMBL5031047 0.80 ALOX5 (0.51) ALOX5PTGS2CNR2TYR
SCHEMBL27443920 0.78 HTT (0.46) ALOX5PTGS2MAOATYRNPC1
SCHEMBL1599821 0.75 ALOX5 (0.59) ALOX5PTGS2TYR
SCHEMBL27505020 0.74 ALOX5 (0.54) ALOX5PTGS2
SCHEMBL29596056 0.73 ALOX5 (0.56) ALOX5PTGS2CNR2TYRHTT
SCHEMBL27797308 0.73 NPC1 (0.50) ALOX5PTGS2TYRNPC1HPGD
SCHEMBL28187609 0.73 ACHE (0.41) ALOX5PTGS2TYRHTT
SCHEMBL10602394 0.73 ALOX5 (0.60) ALOX5PTGS2CNR2TYRHTT
SCHEMBL5676677 0.72 TYR (0.44) ALOX5PTGS2MAOATYRNPC1

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-103261140-B Process for producing dibenzoylmethane derivative DSM IP ASSETS B.V. (NL) 2016-04-06 — — CN disclosed
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