SCHEMBL8565144

SCHEMBL8565144

CCCCCCCCCCOc1cc(-c2ncccn2)ccc1CCCCCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.42
CNR1 P21554 9/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTPN11 Q06124 1/20 0.38
SMPD1 P17405 1/20 0.38
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8571237 0.97 CNR2 (0.41) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL8568393 0.89 CNR2 (0.40) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL8569405 0.85 CNR2 (0.39) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL8573074 0.81 HTT (0.38) CNR2CNR1MEN1KMT2AHTT
SCHEMBL8571022 0.81 HTT (0.38) CNR2CNR1MEN1KMT2AHTT
SCHEMBL8563168 0.79 TRPV1 (0.38) PTPN11SMPD1
SCHEMBL8565172 0.79 FAAH (0.39) MAPT
SCHEMBL8570086 0.79 ALDH1A1 (0.37) ALDH1A1PTPN11SMPD1
SCHEMBL8944828 0.74 MAPT (0.38) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL8424888 0.74 SMPD1 (0.52) CNR2CNR1KMT2ANPC1PTPN11

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed