SCHEMBL1345693

SCHEMBL1345693

CCc1ccc(O)c(Cc2cc(CC)cc(Cc3cc(CC)cc(Cc4cc(CC)ccc4O)c3O)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.56
TRPA1 O75762 1/20 0.55
HSPA5 P11021 2/20 0.53
HIF1A Q16665 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
BACE1 P56817 1/20 0.49
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
SLC22A1 O15245 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSPD1 P10809 1/20 0.44
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL1345240 1.00 AMY1A (0.56) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL1345993 1.00 AMY1A (0.56) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL1345498 1.00 AMY1A (0.56) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL1345470 1.00 AMY1A (0.56) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL51319 0.92 TRPA1 (0.64) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL8040880 0.91 AMY1A (0.71) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL28676273 0.87 AMY1A (0.77) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL21307638 0.86 GABRA1 (0.57) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL16281206 0.85 HSPA5 (0.79) AMY1ATRPA1HSPA5HIF1ACYP2C9
SCHEMBL9913999 0.83 CNR1 (0.58) AMY1ATRPA1HSPA5HIF1ABACE1

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