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Cyclohexane

Cyclohexane

SCHEMBL4696394

C1CCCCC1.O=C(O)Nc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.55
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL13756754 0.84 CNR1 (0.65) CNR1NPC1RAB9AALDH1A1MAPT
SCHEMBL13756747 0.84 NPC1 (0.60) CNR1NPC1ALDH1A1HPGDCYP2C19
SCHEMBL4697369 0.81 CNR1 (0.55) CNR1NPC1RAB9AALDH1A1MAPT
SCHEMBL4460346 0.80 HPGD (0.54) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13756748 0.78 CNR1 (0.65) CNR1NPC1RAB9AALDH1A1MAPT
SCHEMBL4697973 0.76 CNR1 (0.56) CNR1NPC1RAB9AALDH1A1MAPT
SCHEMBL26633294 0.75 ADORA3 (0.51) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL4695062 0.74 CNR1 (0.65) CNR1ALDH1A1MAPTHPGDTP53
SCHEMBL30257325 0.72 CNR1 (0.63) CNR1ALDH1A1TP53
SCHEMBL8728950 0.72 CNR1 (0.63) CNR1ALDH1A1TP53

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
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 — — EP claimed