SCHEMBL7871934

SCHEMBL7871934

CC(OC1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.44
▸ METAP2 P50579 2/20 0.43
▸ METAP1 P53582 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SSTR4 P31391 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
SCHEMBL28676012 0.85 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1837157 0.78 GABRA1 (0.46) ALDH1A1CYP1A2
SCHEMBL908326 0.77 POLB (0.40) ACP3METAP2METAP1SSTR4
SCHEMBL14720630 0.76 CYP19A1 (0.52) ACP3METAP2METAP1SSTR4
SCHEMBL14720629 0.76 CYP19A1 (0.52) ACP3METAP2METAP1SSTR4
SCHEMBL1846694 0.76 GABRA1 (0.47) ALDH1A1CYP1A2SLC6A2SLC6A4
SCHEMBL14667605 0.74 SLC18A2 (0.47) METAP2CYP1A2CYP2C19
SCHEMBL1837910 0.74 GABRA1 (0.34) ALDH1A1CYP1A2SLC6A2
SCHEMBL30409561 0.74 GABRA1 (0.34) ALDH1A1CYP1A2SLC6A2
SCHEMBL15503588 0.74 PPARG (0.40) ACP3METAP2METAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087934-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF Nortran Pharmaceuticals Inc. (CA) 2001-04-04 — — EP claimed
WO-1999050225-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF NORTRAN PHARMACEUTICALS INC. (CA) 1999-10-07 — — WO claimed
EP-1087934-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF Nortran Pharmaceuticals Inc. (CA) 2001-04-04 — — EP disclosed
WO-1999050225-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF NORTRAN PHARMACEUTICALS INC. (CA) 1999-10-07 — — WO disclosed
Send feedback