SCHEMBL1345100

SCHEMBL1345100

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
RORC P51449 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL1345095 1.00 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1345505 1.00 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1345031 1.00 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL51009 0.94 ALDH1A1 (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30885064 0.87 CYP3A4 (0.58) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Potassium SCHEMBL30885068 0.85 CYP3A4 (0.56) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1345986 0.85 RORC (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1345574 0.85 RORC (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1344947 0.85 RORC (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1345112 0.85 RORC (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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