SCHEMBL8747607

SCHEMBL8747607

CCc1ccc2c(Cc3c(O)c(C(=O)O)cc4cc(CC)ccc34)c(O)c(C(=O)O)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.61
POLB P06746 1/20 0.61
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
HMGB1 P09429 2/20 0.41
CXCL12 P48061 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
METAP2 P50579 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8747612 0.89 GPR35 (0.58) GPR35POLBME2ME1ME3
SCHEMBL8747693 0.86 POLB (0.56) GPR35POLBME2ME1ME3
SCHEMBL8747621 0.82 GPR35 (0.65) GPR35POLBME2ME1ME3
SCHEMBL6010055 0.80 GPR35 (0.67) GPR35POLBME2ME1ME3
SCHEMBL9462774 0.79 POLB (0.57) GPR35POLBME2ME1ME3
SCHEMBL8747627 0.79 GPR35 (0.65) GPR35POLBME2ME1ME3
SCHEMBL6351094 0.79 GPR35 (0.65) GPR35POLBME2ME1ME3
SCHEMBL8747583 0.78 POLB (0.60) GPR35POLBME2ME1ME3
SCHEMBL7599562 0.78 ALDH1A1 (0.42) GPR35POLBME2ME1ME3
SCHEMBL6350644 0.77 GPR35 (0.58) GPR35POLBME2ME1ME3

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