SCHEMBL1346231

SCHEMBL1346231

CCC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)CC)cc(Cc3cc(C(C)(C)CC)cc(Cc4cc(C(C)(C)CC)ccc4O)c3O)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.50
ESR2 Q92731 5/20 0.50
AMY1A P0DUB6 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
CYP3A4 P08684 3/20 0.49
AR P10275 2/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
DRD1 P21728 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL1345198 1.00 ESR1 (0.50) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL1345213 1.00 ESR1 (0.50) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL1345526 1.00 ESR1 (0.50) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL51936 0.93 ESR1 (0.56) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL27365471 0.93 CYP3A4 (0.60) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL16656147 0.85 CYP3A4 (0.66) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL29930281 0.83 HSPA5 (0.63) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL4399352 0.82 ESR1 (0.72) ESR1ESR2SMN1; SMN2CYP3A4AR
SCHEMBL1345527 0.81 CYP2D6 (0.59) ESR1ESR2AMY1ASMN1; SMN2CYP3A4
SCHEMBL15290876 0.81 KLF10 (0.70) ESR1ESR2SMN1; SMN2CYP3A4AR

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