SCHEMBL8935956

SCHEMBL8935956

CCC[C](CCCCCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 2/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
ACHE P22303 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
ALOX5 P09917 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7267678 0.85 GPR52 (0.48) SCN5ASCN2AGPR52KDM4EALDH1A1
SCHEMBL8804035 0.79 GPR52 (0.48) SCN5ASCN2AMAPTGPR52KDM4E
Naphthoic Acid SCHEMBL31550365 0.77 CNR2 (0.49) SCN5ASCN2AGPR52KDM4EALDH1A1
SCHEMBL5079813 0.76 GPR52 (0.48) SCN5ASCN2AMAPTGPR52KDM4E
SCHEMBL7239901 0.74 GPR52 (0.49) SCN5ASCN2AMAPTGPR52KDM4E
SCHEMBL20598171 0.73 ALDH1A1 (0.55) KDM4EALDH1A1CNR1ACHESIGMAR1
SCHEMBL7354117 0.72 KDM4E (0.48) MAPTGPR52KDM4EALDH1A1CNR1
SCHEMBL4948336 0.72 GPR52 (0.50) SCN5ASCN2AMAPTGPR52KDM4E
SCHEMBL1000399 0.72 KCNH2 (0.54) MAPTRXFP1KDM4EALDH1A1ACHE
SCHEMBL6423825 0.72 CNR2 (0.51) MAPTKDM4EALDH1A1CNR1CNR2

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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed