SCHEMBL4356917

SCHEMBL4356917

Cc1cc(Cc2cc(C)c(C(=O)O)c(C(=O)O)c2)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.67
CXCL12 P48061 1/20 0.67
PTPN1 P18031 6/20 0.47
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
MMP9 P14780 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3B Q9UBC3 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
PTPN2 P17706 2/20 0.42
PTPN6 P29350 2/20 0.42
CFD P00746 1/20 0.42
HNF4A P41235 1/20 0.41

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
SCHEMBL5581994 0.87 HMGB1 (0.59) HMGB1CXCL12PTPN1KLKB1CTSB
SCHEMBL9755153 0.80 HMGB1 (1.00) HMGB1CXCL12PTPN1KLKB1CTSB
SCHEMBL28515541 0.79 KAT8 (0.48) HMGB1CXCL12PTPN1ALDH1A1CYP3A4
SCHEMBL2187817 0.78 HMGB1 (0.65) HMGB1CXCL12PTPN1KLKB1CTSB
SCHEMBL4659030 0.77 MCL1 (0.48) HMGB1CXCL12ALDH1A1CYP3A4ACHE
SCHEMBL3387328 0.77 KDM4E (0.61) MMP9ALDH1A1CYP3A4ACHEMAPK1
SCHEMBL9558209 0.76 SRD5A2 (0.59) HMGB1CXCL12ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30263035 0.75 KDM4E (0.59) MMP9ALDH1A1CYP3A4ACHEMAPK1
SCHEMBL9353947 0.75 CYP3A4 (0.67) HMGB1CXCL12PTPN1ALDH1A1CYP3A4
SCHEMBL6334301 0.75 TPMT (0.48) ALDH1A1CDC25BCYP3A4ACHEMAPK1

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-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed