SCHEMBL1345514

SCHEMBL1345514

Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(C)cc(Cc5cc(C)cc(Cc6cc(C)cc(Cc7cc(C)ccc7O)c6O)c5O)c4O)c3O)c2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 1.00
HIF1A Q16665 4/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HSPA5 P11021 3/20 0.50
TRPA1 O75762 1/20 0.48
ALOX15 P16050 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
ALOX12 P18054 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A1 O15245 1/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47

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
SCHEMBL1345917 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1345563 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL218957 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL29623092 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL18352 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL30320292 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3820165 1.00 AMY1A (1.00) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
Phosphine SCHEMBL26919025 0.98 AMY1A (0.96) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
Formaldehyde SCHEMBL28912209 0.94 AMY1A (0.89) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8078719 0.93 AMY1A (0.86) AMY1AHIF1ACYP2C9CYP2C19SMN1; SMN2

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