SCHEMBL10130992

SCHEMBL10130992

CC(C)c1ccc2[nH]c3ccc(C(c4cccc5ccccc45)C(C)C)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
CASR P41180 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
VDR P11473 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
SCHEMBL13010630 0.78 KIF11 (0.79) KIF11KDM4EALDH1A1GAA
SCHEMBL31549973 0.78 KIF11 (0.79) KIF11KDM4EALDH1A1GAA
SCHEMBL28675865 0.77 KIF11 (0.62) KIF11KDM4EALDH1A1GAAVDR
SCHEMBL10114699 0.77 MEN1 (0.46) KIF11CASRCYP1A2ADRA2AADRA2B
SCHEMBL21376875 0.76 KIF11 (0.62) KIF11KDM4EALDH1A1GAA
SCHEMBL11019542 0.75 SLC6A4 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL19788308 0.75 KIF11 (0.51) KIF11KDM4EALDH1A1
SCHEMBL28013776 0.75 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL6492246 0.74 AHR (0.44) KIF11CASRKDM4EALDH1A1CYP1A2
SCHEMBL22417035 0.73 KIF11 (0.56) KIF11CASR

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-20120077345-A1 CARBAZOLE NOVOLAK RESIN NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-29 US disclosed