SCHEMBL27880552

SCHEMBL27880552

CC(=O)Cc1ccc2c(c1)C(c1ccc(N(C)C)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.39
C5AR1 P21730 2/20 0.37
GPR183 P32249 1/20 0.36
ADGRF1 Q5T601 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
EPHX2 P34913 1/20 0.34
DRD2 P14416 3/20 0.34
CHRM4 P08173 2/20 0.34
HTR7 P34969 2/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
KCNH2 Q12809 3/20 0.33
CYP2C9 P11712 2/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL28786293 0.77 ALDH1A1 (0.39) C5AR1GPR183ADGRF1GPR65KDM4E
SCHEMBL28786292 0.75 CNR2 (0.38) CYP26A1C5AR1GPR183ADGRF1GPR65
SCHEMBL8938880 0.73 IGF1R (0.54) KDM4EALDH1A1DRD2CYP3A4CYP2C9
SCHEMBL28031094 0.72 SRD5A2 (0.32) ALDH1A1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL2862421 0.72 ALDH1A1 (0.54) KDM4EALDH1A1CYP3A4
SCHEMBL28129775 0.71 SIGMAR1 (0.55) KDM4EALDH1A1SIGMAR1
SCHEMBL8085206 0.68 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3DRD2CHRM4
SCHEMBL10923648 0.65 ALDH1A1 (0.46) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7650955 0.64 ALDH1A1 (0.55) ALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL12291861 0.64 HTR2A (0.40) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3

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-102803304-B photoinitiated reaction LINTFIELD LTD. (GB) 2015-08-05 CN disclosed
CN-102803304-A photoinitiated reaction LINTFIELD LTD 2012-11-28 CN disclosed