SCHEMBL4331945

SCHEMBL4331945

COCC1(COC)C=CC(c2ccccc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
POLB P06746 1/20 0.32
ABCB1 P08183 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
KDM1A O60341 3/20 0.30
MAOA P21397 3/20 0.30
MAOB P27338 3/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9220720 0.82 KDM1A (0.35) ADORA3HTR2AHTR2CHTR2BKDM1A
SCHEMBL21043746 0.78 MAPT (0.40) ADORA3POLBABCB1KDM1AMEN1
SCHEMBL3684570 0.75 KDM1A (0.40) ABCB1HTR2AHTR2CHTR2BKDM1A
SCHEMBL7666864 0.75 HTR2B (0.33) HTR2AHTR2CHTR2BMAPT
SCHEMBL20337295 0.75 HTR2B (0.33) HTR2AHTR2CHTR2BMAPT
SCHEMBL5185255 0.75 POLB (0.34) POLBKDM1AMAOAMAOB
SCHEMBL10715859 0.73 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL9466795 0.72 CHRNA7 (0.34) POLBABCB1KDM1AMAOAMAOB
SCHEMBL7430840 0.72 KDM1A (0.31) KDM1AMAOAMAOB
SCHEMBL5576897 0.72 KDM1A (0.31) KDM1AMAOAMAOB

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-20090012203-A1 Epoxy Resin and Epoxy Resin Composition NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-01-08 US disclosed