SCHEMBL9685845

SCHEMBL9685845

CCCCc1cc(Cc2cc(CCCC)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.42
CNR2 P34972 11/20 0.42
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RBP1 P09455 1/20 0.34
TYR P14679 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL200174 0.83 NUDT1 (0.45) CNR1CNR2NUDT1BACE1KDM4E
SCHEMBL11704489 0.82 CNR1 (0.42) CNR1CNR2HTR2AMAPTRBP1
SCHEMBL11610626 0.81 CNR1 (0.42) CNR1CNR2MEN1MAPTKMT2A
SCHEMBL8142482 0.81 NUDT1 (0.40) CNR1CNR2NUDT1BACE1
SCHEMBL11614576 0.79 NUDT1 (0.49) CNR1CNR2NUDT1BACE1KDM4E
SCHEMBL14513422 0.79 HSPA5 (0.46) CNR1CNR2NUDT1BACE1HTR2A
SCHEMBL27480120 0.78 NPC1 (0.44) CNR1CNR2NUDT1BACE1KDM4E
SCHEMBL5590265 0.78 CNR1 (0.40) CNR1CNR2NUDT1BACE1HTR2A
SCHEMBL21409960 0.78 SHBG (0.46) CNR1CNR2NUDT1BACE1KDM4E
SCHEMBL14097951 0.78 CNR1 (0.42) CNR1CNR2NUDT1BACE1

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-5171657-A Containing photopolymerizable monomer CANON KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed