SCHEMBL4540371

SCHEMBL4540371

CCC1CCCCC1(O)c1ccccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SGMS2 Q8NHU3 1/20 0.41
HTR1A P08908 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
LIPE Q05469 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.39
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.38
C5AR1 P21730 2/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4543654 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1SGMS2HTR1A
SCHEMBL4984839 0.83 CHRM2 (0.49) MEN1KMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL4685646 0.79 SLC6A9 (0.46) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4989694 0.74 SLC6A2 (0.51) MEN1KMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL12804885 0.73 ALPG (0.47) MEN1KMT2AALDH1A1SGMS2HTR1A
SCHEMBL4991842 0.72 HDAC4 (0.44) MEN1KMT2ASLC6A2SLC6A4TDP1
SCHEMBL4540376 0.71 HTR1A (0.46) MEN1KMT2AALDH1A1SGMS2HTR1A
SCHEMBL6865381 0.70 SLC6A2 (0.60) MEN1KMT2ASLC6A2SLC6A4OPRM1
SCHEMBL4543658 0.70 HTR1A (0.48) MEN1KMT2AALDH1A1SGMS2HTR1A
SCHEMBL1513365 0.70 SIGMAR1 (0.61) MEN1KMT2AALDH1A1HTR1ASLC6A2

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
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO claimed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed