SCHEMBL6545345

SCHEMBL6545345

COCCOCCOCCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HRH1 P35367 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC6A2 P23975 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8715984 0.90 HTR2A (0.42) HTR2ACA1CA2MEN1KMT2A
SCHEMBL6939847 0.90 HTR2A (0.42) HTR2ACA1CA2MEN1KMT2A
SCHEMBL17022715 0.78 HTR2A (0.61) HTR2ACA1CA2MEN1KMT2A
SCHEMBL16432757 0.74 HTR2A (0.38) HTR2ACA1CA2KMT2ATSHR
SCHEMBL7574105 0.73 HTR2A (0.61) HTR2ACA1CA2MEN1KMT2A
SCHEMBL16431106 0.72 HTR2A (0.42) HTR2ACA1CA2KMT2AHRH1
SCHEMBL877438 0.72 HTR2A (0.56) HTR2AACHEBCHE
SCHEMBL3722447 0.71 HTR2A (0.46) HTR2ACA1CA2ALDH1A1TSHR
SCHEMBL5353138 0.71 HTR2A (0.64) HTR2ACA1CA2MEN1KMT2A
SCHEMBL6061696 0.71 HTR2A (0.54) HTR2AACHEBCHE

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
EP-1212271-B1 MONOMERS, POLYMERS INCORPORATING SAID MONOMERS AND THEIR USE IN ORGANIC ELECTROLUMINESCENT DEVICES UNIV GRENOBLE 1 (FR) 2004-01-14 EP claimed
EP-1212271-B1 MONOMERS, POLYMERS INCORPORATING SAID MONOMERS AND THEIR USE IN ORGANIC ELECTROLUMINESCENT DEVICES UNIV GRENOBLE 1 (FR) 2004-01-14 EP disclosed