SCHEMBL4641265

SCHEMBL4641265

Cc1cc(C(=O)O)c(O)c(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.48
LDHB P07195 3/20 0.48
HMGB1 P09429 1/20 0.48
CXCL12 P48061 1/20 0.48
CYP3A4 P08684 4/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 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
SCHEMBL1490237 0.83 LDHA (0.48) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL4876859 0.83 LDHA (0.48) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL31405600 0.83 CYP3A4 (0.48) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL29031971 0.83 CYP3A4 (0.50) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL28654045 0.83 CYP3A4 (0.52) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL537616 0.83 CYP3A4 (0.47) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL3030086 0.83 CYP3A4 (0.47) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL31315038 0.83 HMGB1 (0.52) LDHALDHBHMGB1CXCL12CYP3A4
SCHEMBL4126506 0.83 HMGB1 (0.57) LDHALDHBHMGB1CXCL12MAPT
SCHEMBL29927238 0.83 CYP3A4 (0.47) LDHALDHBHMGB1CXCL12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1344765-B1 PROCESS FOR PRODUCING A DIMETHYL TEREPHTHALATE COMPOSITION TEIJIN LTD (JP) 2014-07-30 EP claimed
EP-1569795-B1 THERMOPLASTIC ARTICLE HAVING A DECORATIVE MATERIAL EMBEDDED THEREIN EASTMAN CHEM CO (US) 2008-09-03 EP claimed
EP-1575774-B1 ARTICLES OF MANUFACTURE INCORPORATING POLYESTER/POLYCARBONATE BLENDS EASTMAN CHEM CO (US) 2008-08-13 EP claimed
EP-1437377-B1 METHOD FOR RECYCLING PET BOTTLE TEIJIN LTD (JP) 2007-10-03 EP claimed
EP-0132717-B1 HEAT-SENSITIVE RECORD MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-04-22 EP claimed
US-10201803-B2 Polymer-metal organic framework materials and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-12 US disclosed
US-20160361702-A1 POLYMER-METAL ORGANIC FRAMEWORK MATERIALS AND METHODS OF USING THE SAME UNITED STATES DEPARTMENT OF ENERGY 2016-12-15 US disclosed
US-5968414-A GRAFT POLYMERS WITH HIGH SOLUBILITY SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-10-19 US disclosed
US-5616659-A Low flammability thermoset polymers SOUTHWEST RESEARCH INSTITUTE (US) 1997-04-01 US disclosed