SCHEMBL28230720

SCHEMBL28230720

CCCCCC=C1CC=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
RET P07949 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL28383813 0.81 TRPA1 (0.37) CYP1A2CYP2D6LMNATP53RET
SCHEMBL11270872 0.74 CYP1A2 (0.42) SETD7CYP1A2CYP2D6LMNATP53
SCHEMBL11270876 0.74 CYP1A2 (0.42) SETD7CYP1A2CYP2D6LMNATP53
SCHEMBL30662010 0.74 NAAA (0.34) ALOX15KDM4ETDP1PRKCA
SCHEMBL27855880 0.73 CYP1A2 (0.33) SETD7CYP1A2CYP2D6LMNATP53
SCHEMBL10419982 0.73 SETD7 (0.40) SETD7HTR2AKCNH2
SCHEMBL10760571 0.72 SETD7 (0.43) SETD7HTR2AKCNH2
SCHEMBL9647956 0.72 SETD7 (0.43) SETD7HTR2AKCNH2
SCHEMBL18242409 0.71 SETD7 (0.38) SETD7CYP1A2CYP2D6TP53CHRM2
SCHEMBL27604068 0.71 CYP1A2 (0.33) CYP1A2CYP2D6LMNATP53RET

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
CN-108349226-A Film laminate and packaging material or container 宇部兴产株式会社 2018-07-31 CN disclosed
CN-108350270-A Amilan polyamide resin composition, film 宇部兴产株式会社 2018-07-31 CN disclosed