SCHEMBL3628375

SCHEMBL3628375

C=Cc1ccc(OC(C)(C)C)cc1OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
CYP1A2 P05177 10/20 0.36
CYP1A1 P04798 9/20 0.36
CYP1B1 Q16678 9/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SRD5A1 P18405 1/20 0.33
NFE2L2 Q16236 2/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL677115 0.83 KIF11 (0.38) KIF11CYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL20710992 0.81 ALDH1A1 (0.55) KIF11CYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL3203388 0.81 KIF11 (0.37) KIF11SRD5A1
SCHEMBL28564356 0.80 CNR2 (0.39) ALDH1A1GAAMAPTTSHR
SCHEMBL20224935 0.80 KIF11 (0.36) KIF11CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL17921276 0.80 CYP1A1 (0.39) KIF11CYP1A2CYP1A1CYP1B1SRD5A1
SCHEMBL4874384 0.77 KIF11 (0.34) KIF11SRD5A1
SCHEMBL3690339 0.77 KIF11 (0.34) KIF11SRD5A1
SCHEMBL7709174 0.76 FBP1 (0.38) KIF11SRD5A1NFE2L2
SCHEMBL3824427 0.76 KIF11 (0.43) KIF11CYP1A2CYP1A1CYP1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276575-A1 METHOD FOR PRODUCING RESIN AND METHOD FOR PRODUCING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2019-09-12 US disclosed
EP-2506357-B1 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORP (JP) 2015-06-17 EP disclosed
EP-2506357-A1 Separation membrane for direct liquid fuel cell and method for producing same Tokuyama Corporation (JP) 2012-10-03 EP disclosed
US-8232325-B2 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORPORATION (JP) 2012-07-31 US disclosed
US-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed
EP-1990854-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING SAME Tokuyama Corporation (JP) 2008-11-12 EP disclosed