SCHEMBL1344947

SCHEMBL1344947

CC(C)(c1ccccc1)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)(C)c3ccccc3)cc(C(c3ccccc3)c3cc(C(C)(C)c4ccccc4)cc(C(c4ccccc4)c4cc(C(C)(C)c5ccccc5)cc(C(c5ccccc5)c5cc(C(C)(C)c6ccccc6)ccc5O)c4O)c3O)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
ESR1 P03372 6/20 0.45
ESR2 Q92731 5/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KLF10 Q13118 1/20 0.37
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
ESRRG P62508 1/20 0.34

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
SCHEMBL1345574 1.00 RORC (0.48) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345986 1.00 RORC (0.48) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345112 1.00 RORC (0.48) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345039 0.94 RORC (0.53) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL24411210 0.85 ESR1 (0.50) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345095 0.85 TSHR (0.50) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345505 0.85 TSHR (0.50) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL29786988 0.85 ESR1 (0.56) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345100 0.85 TSHR (0.50) RORCESR1ESR2CYP3A4ALDH1A1
SCHEMBL1345031 0.85 TSHR (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724119-B1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS MITSUBISHI CHEM CORP (JP) 2014-11-19 EP disclosed
US-8062993-B2 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2011-11-22 US disclosed
US-20070173407-A1 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2007-07-26 US disclosed
EP-1724119-A1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2006-11-22 EP disclosed