SCHEMBL27853201

SCHEMBL27853201

C=CCc1sccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 11/20 0.54
CYP3A4 P08684 7/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2B6 P20813 4/20 0.44
CYP2E1 P05181 3/20 0.44
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27835174 0.81 MAPK14 (0.42) CYP2A6ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9808839 0.80 BCAT2 (0.40) CYP3A4CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL842610 0.77 CYP2A6 (0.55) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL28785772 0.73 CYP2A6 (0.45) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL24318549 0.72 CYP2A6 (0.66) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL5706415 0.71 KDM4E (0.39) CYP1A2ALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL28139912 0.70 CYP2A6 (0.64) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL13035349 0.70 CYP2A6 (1.00) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL27843011 0.70 CYP2A6 (0.58) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL29061722 0.68 CYP2A6 (0.55) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103483154-A Process for producing bisphenol compound MITSUBISHI CHEM CORP 2014-01-01 CN claimed
CN-102292311-A Process for producing bisphenol compound 2011-12-21 CN claimed
CN-103483154-B Process for producing bisphenol compound 三菱化学株式会社 2016-07-06 CN disclosed
CN-103483154-A Process for producing bisphenol compound MITSUBISHI CHEM CORP 2014-01-01 CN disclosed
CN-102292311-A Process for producing bisphenol compound 2011-12-21 CN disclosed