SCHEMBL27368213

SCHEMBL27368213

OC1CCCN(COc2ccccc2)C1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
SLC18A3 Q16572 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1751084 0.76 HRH3 (0.40) KDM4EALDH1A1SMN1; SMN2SPHK2SPHK1
SCHEMBL6590979 0.71 TDP1 (0.37) KDM4EALDH1A1SMN1; SMN2SPHK2SPHK1
Phenoxyethanol SCHEMBL28142983 0.70 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21695105 0.70 RAB9A (0.57) ALDH1A1MEN1KMT2AHRH3TMEM97
SCHEMBL27457708 0.69 SLC18A3 (0.49) ALDH1A1SMN1; SMN2KMT2ASLC18A3SIGMAR1
SCHEMBL15939331 0.68 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Phenoxyethanol SCHEMBL5469246 0.68 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2SLC18A3
SCHEMBL13640459 0.68 KMT2A (0.41) MEN1KMT2ATMEM97SIGMAR1
SCHEMBL7111287 0.68 TERT (0.43) KDM4EALDH1A1SIGMAR1
SCHEMBL10570038 0.67 SPHK1 (0.49) KDM4ESPHK2SPHK1

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
CN-1068597-C Process for preparing 4 -aryl -piperidine derivatives NOVO NORDISK AS (DK) 2001-07-18 CN disclosed
CN-1184476-A Process for preparing 4 -aryl -piperidine derivatives NOVO NORDISK AS (DK) 1998-06-10 CN disclosed