SCHEMBL9806364

SCHEMBL9806364

CCN(C=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
ESR1 P03372 8/20 0.35
KCNH2 Q12809 4/20 0.35
ADRA2A P08913 4/20 0.35
KMT2A Q03164 4/20 0.35
EBP Q15125 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
CHRM2 P08172 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
CHRM1 P11229 3/20 0.35
PTGS1 P23219 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
DRD3 P35462 3/20 0.35
HTR6 P50406 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ADRA2B P18089 3/20 0.35
HTR2A P28223 3/20 0.35
MEN1 O00255 3/20 0.35
PGR P06401 3/20 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
SCHEMBL9760171 0.90 ESRRG (0.43) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL11278094 0.77 ALDH1A1 (0.44) KCNH2ADRA2AKMT2AADRA2BHTR2A
SCHEMBL19041280 0.77 CES2 (0.53) KCNH2ADRA2AADRA2BHTR2APGR
SCHEMBL11278110 0.77 ALDH1A1 (0.44) KCNH2ADRA2AKMT2AADRA2BHTR2A
SCHEMBL19040950 0.77 ALDH1A1 (0.44) KCNH2ADRA2AKMT2AADRA2BHTR2A
SCHEMBL1553459 0.75 ESR1 (0.39) PTGS2ESR1KMT2AADORA3MEN1
SCHEMBL1553457 0.75 ESR1 (0.39) PTGS2ESR1KMT2AADORA3MEN1
SCHEMBL11719533 0.75 CES2 (0.46) KCNH2ADRA2AADRA2BHTR2APGR
SCHEMBL11719526 0.75 CES2 (0.46) KCNH2ADRA2AADRA2BHTR2APGR
SCHEMBL12422795 0.74 ALDH1A1 (0.40) KCNH2ADRA2AKMT2ASIGMAR1ADRA2B

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
US-5063126-A Charge generating layer containing an n- and p-type dye and a charge transporting layer on a conductive substrate; weight ra tio; red copying MITA INDUSTRIAL CO., LTD. (JP) 1991-11-05 US disclosed
EP-0369765-A2 Electrophotographic photosensitive material MITA INDUSTRIAL CO. LTD. (JP) 1990-05-23 EP disclosed