SCHEMBL1345689

SCHEMBL1345689

CCC(C)(C)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)(C)CC)cc(C(c3ccccc3)c3cc(C(C)(C)CC)ccc3O)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HKDC1 Q2TB90 1/20 0.37
ESR1 P03372 6/20 0.35
ESR2 Q92731 3/20 0.35
AR P10275 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
SCHEMBL1344719 1.00 CYP2C9 (0.43) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345277 1.00 CYP2C9 (0.43) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345171 1.00 CYP2C9 (0.43) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL51083 0.94 RORC (0.46) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL10969245 0.83 CYP2C9 (0.55) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345505 0.83 TSHR (0.50) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345031 0.83 TSHR (0.50) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345095 0.83 TSHR (0.50) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1345100 0.83 TSHR (0.50) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL28336750 0.82 RORC (0.49) CYP2C9TSHRCYP1A2CYP3A4CYP2C19

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
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
CN-1930006-B Developer mixture for thermal recording materials and thermal recording materials API CORP 2010-12-08 CN disclosed
US-20070173407-A1 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2007-07-26 US disclosed
CN-1930006-A Developer mixture for thermal recording materials and thermal recording materials API CORP (JP) 2007-03-14 CN disclosed
EP-1724119-A1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2006-11-22 EP disclosed