SCHEMBL1345705

SCHEMBL1345705

CC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5O)c4O)c3O)c2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.59
AMY1A P0DUB6 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C19 P33261 4/20 0.50
HIF1A Q16665 3/20 0.50
CYP2C9 P11712 2/20 0.50
KLF10 Q13118 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46

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
SCHEMBL3810884 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL3819212 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL1343857 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL1345527 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL1345214 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL3821963 1.00 CYP2D6 (0.59) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL14681012 0.93 ESR1 (0.53) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL51058 0.92 CYP2D6 (0.67) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL14213264 0.88 CYP2D6 (0.48) CYP2D6AMY1AALDH1A1HPGDALOX15
SCHEMBL16545612 0.86 AMY1A (0.61) CYP2D6AMY1AALDH1A1HPGDALOX15

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