SCHEMBL5153864

SCHEMBL5153864

CCOc1cccc(CCOc2cc[c]cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.42
FFAR1 O14842 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 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
SCHEMBL835268 0.86 TAAR1 (0.54) CHRM2CHRM1CHRM3
SCHEMBL8748120 0.84 SMN1; SMN2 (0.52) TP53CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL5535801 0.79 CHRM2 (0.47) CHRM2CHRM1CHRM3FFAR1
SCHEMBL5153857 0.78 CHRM2 (0.45) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL5542037 0.78 TAAR1 (0.47)
SCHEMBL1283338 0.78 TAAR1 (0.47) CYP3A4
SCHEMBL427612 0.77 CHRM2 (0.58) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL832700 0.77 NPC1 (0.61) FFAR1
SCHEMBL8007875 0.76 SMN1; SMN2 (0.46) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL21151 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP disclosed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP disclosed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed