SCHEMBL8747706

SCHEMBL8747706

O=C(O)c1c(O)cc(Cc2cc(O)c(C(=O)O)c3ccccc23)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.59
CXCL12 P48061 1/20 0.59
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 1/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
BCL2L1 Q07817 2/20 0.42
BCL2 P10415 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3422904 0.80 THRB (0.57) HMGB1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8747572 0.77 ALDH1A1 (0.42) HMGB1CXCL12MEN1ALDH1A1HPGD
SCHEMBL27571871 0.77 THRB (0.58) HMGB1CXCL12KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7535914 0.76 THRB (0.56) HMGB1CXCL12KDM4EMEN1ALDH1A1
SCHEMBL28256436 0.76 HPGD (0.47) HMGB1CXCL12KDM4EMEN1ALDH1A1
SCHEMBL8747580 0.74 HMGB1 (1.00) HMGB1CXCL12KDM4EMEN1ALDH1A1
SCHEMBL7886849 0.74 HMGB1 (0.58) HMGB1CXCL12MEN1KMT2ABCL2L1
SCHEMBL4731723 0.73 ME2 (0.73) HMGB1CXCL12KDM4EMEN1ALDH1A1
SCHEMBL29599456 0.72 KDM4E (0.68) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL70004 0.72 KDM4E (0.68) KDM4EMEN1ALDH1A1CYP1A2GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490370-B1 Electrostatic image-developing toner MITSUBISHI CHEM CORP (JP) 1997-03-12 EP disclosed
US-5200288-A Mixture of resin, colorant and additive having constant changeability MITSUBISHI KASEI CORPORATION (JP) 1993-04-06 US disclosed
EP-0490370-A1 Electrostatic image-developing toner Mitsubishi Chemical Corporation (JP) 1992-06-17 EP disclosed