SCHEMBL6237053

SCHEMBL6237053

CCCCCCCCC1CC(CN(C)C)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3658650 0.85 HTT (0.62) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL3657694 0.84 HTT (0.59) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL9450633 0.82 HTT (0.58) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL864222 0.81 HTT (0.54) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL8095290 0.80 HTT (0.52) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL3656048 0.79 HTT (0.59) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL14973545 0.79 KMT2A (0.60) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3660316 0.78 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL9450606 0.78 HTT (0.60) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL9450597 0.77 KMT2A (0.55) ALDH1A1HPGDHTTSMN1; SMN2LMNA

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-1238965-B1 A process for the preparation of 1-(2-dimethylamino-(4-methoxyphenyl)-ethyl)cyclohexanol COUNCIL SCIENT IND RES (IN) 2005-06-08 EP disclosed