SCHEMBL5348282

SCHEMBL5348282

CC1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SLC6A9 P48067 1/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 2/20 0.39
EPHX1 P07099 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
GLA P06280 1/20 0.36
SLC18A3 Q16572 1/20 0.36
GAA P10253 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
SCHEMBL11554590 0.80 MAOA (0.43) LMNASLC6A9MAOAMAOBHPGD
SCHEMBL11465022 0.79 SLC6A9 (0.45) LMNASLC6A9MAOAMAOBHPGD
SCHEMBL16031144 0.78 MAOA (0.40) LMNAMAOAMAOBOPRL1ALDH1A1
SCHEMBL6236002 0.78 SLC6A9 (0.44) LMNASLC6A9HPGDEPHX1ALDH1A1
SCHEMBL10930927 0.77 SLC6A4 (0.52) SLC6A9OPRL1ALDH1A1
SCHEMBL17351125 0.77 MAOA (0.47) MAOAMAOB
SCHEMBL6936762 0.73 SLC6A9 (0.39) LMNASLC6A9OPRL1SLC18A3
SCHEMBL16029711 0.72 MAOA (0.41) LMNAMAOAMAOBTRPA1
SCHEMBL3444847 0.72 MC4R (0.43) LMNASLC6A9ALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL7741182 0.72 OPRL1 (0.39) LMNASLC6A9OPRL1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed