SCHEMBL4595074

SCHEMBL4595074

CCCC(c1cc(C(C)(C)c2ccccc2)ccc1O)c1cc(C(C)(C)c2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.58
ESR1 P03372 7/20 0.47
ESR2 Q92731 6/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
KLF10 Q13118 1/20 0.42
NR3C2 P08235 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX12 P18054 1/20 0.37
AR P10275 2/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 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
SCHEMBL50921 0.84 RORC (0.51) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL4595965 0.81 RORC (0.49) RORCESR1ESR2ALDH1A1CNR1
SCHEMBL27912180 0.81 RORC (0.60) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL5526772 0.81 RORC (0.56) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL51353 0.81 RORC (0.60) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL15546419 0.80 RORC (0.64) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345039 0.78 RORC (0.53) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL10707776 0.78 RORC (0.61) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1343545 0.76 RORC (0.54) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1344986 0.76 RORC (0.54) RORCESR1ESR2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed