SCHEMBL7005074

SCHEMBL7005074

CCOc1cc(OCC)cc(-c2nccc3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TTK P33981 1/20 0.43
CYP2A6 P11509 1/20 0.42
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NTRK1 P04629 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL7004326 0.88 S1PR1 (0.44) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL7005152 0.84 CYP2A6 (0.53) KMT2AKDM4EMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL7343358 0.81 KMT2A (0.66) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL7003760 0.78 S1PR1 (0.48) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL7003794 0.77 SCN9A (0.45) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL7005328 0.77 MAPT (0.52) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL29808138 0.76 ADORA2A (0.55) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL1038650 0.76 ADORA2A (0.55) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL5468265 0.76 CYP2A6 (0.53) S1PR1KMT2AMEN1KDM4EMAPT
SCHEMBL30360258 0.76 CYP2A6 (0.53) S1PR1KMT2AMEN1KDM4EMAPT

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
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed