SCHEMBL4660396

SCHEMBL4660396

CC(C)C=Cc1ccccc1.CCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.41
PAM P19021 1/20 0.41
RAB9A P51151 1/20 0.40
RELA Q04206 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
TRPA1 O75762 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4528665 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
SCHEMBL56244 0.85 MAOB (0.50) HTR2AMEN1KMT2ARELATRPA1
SCHEMBL6844031 0.85 MAOB (0.50) HTR2AMEN1KMT2ARELATRPA1
SCHEMBL455862 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
Benzene SCHEMBL1226473 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
SCHEMBL178030 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
SCHEMBL14961 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
Benzene SCHEMBL1226476 0.85 HTR2A (0.54) HTR2AMEN1KMT2AIDO1PAM
SCHEMBL28363766 0.83 HTR2A (0.52) HTR2AMEN1KMT2AIDO1PAM
Hydrogen Sulfide SCHEMBL28289964 0.83 HTR2A (0.52) HTR2AMEN1KMT2AIDO1PAM

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-0953608-B1 HEAT-RESISTANT, LOWLY DIELECTRIC HIGH-MOLECULAR MATERIAL, AND FILMS, SUBSTRATES, ELECTRIC COMPONENTS AND HEAT-RESISTANT RESIN MOLDINGS PRODUCED THEREFROM TDK CORP (JP) 2008-12-24 EP disclosed
EP-0953608-A1 HEAT-RESISTANT, LOWLY DIELECTRIC HIGH-MOLECULAR MATERIAL, AND FILMS, SUBSTRATES, ELECTRIC COMPONENTS AND HEAT-RESISTANT RESIN MOLDINGS PRODUCED THEREFROM TDK Corporation (JP) 1999-11-03 EP disclosed