SCHEMBL6738396

SCHEMBL6738396

O=C(O)c1c(Cl)cc(C(=O)O)c2c3c(Cl)cc(c(=O)oc3=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 6/20 0.36
CASP1 P29466 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6735105 0.94 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL3446209 0.78 LMNA (0.43) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL29764017 0.75 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL24455 0.75 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL4276659 0.75 LMNA (0.42) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL8568141 0.75 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL4266800 0.73 GPR35 (0.38) ALDH1A1HPGDGPR35LMNA
SCHEMBL30254 0.73 CYP1A2 (0.44) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL6713095 0.73 LMNA (0.41) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL29764032 0.73 CYP1A2 (0.44) ALDH1A1HPGDKDM4EHSD17B10MEN1

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
CN-110023369-B Process for preparing TDI based polyurethane flexible foams containing organic acid anhydrides and/or organic acid chlorides 科思创德国股份有限公司 2022-03-18 CN disclosed
US-20200079895-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES COVESTRO DEUTSCHLAND AG (DE) 2020-03-12 US disclosed
EP-3548534-A1 METHOD FOR PRODUCING TDI-BASED FLEXIBLE POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES Covestro Deutschland AG (DE) 2019-10-09 EP disclosed
US-20040209969-A1 Polyisocyanate polyaddition products ARLT ANDREAS 2004-10-21 US disclosed
US-6800667-B1 CATALYTIC CONDENSATION POLYMERIZATION OF POLYURETHANE FOAM USING ORGANIC AMINE OR METAL COMPOUND IN PRESENCE OF UNREACTED ACID ANHYDRIDE; MATTRESSES, UPHOLSTERY, OR CARPETS BASF CORPORATION 2004-10-05 US disclosed
US-6794421-B2 comprising hydrophobic compounds plus at least one further compound and/or derivative thereof reactive toward primary amines, compound being selected from cyclic sulfonic esters and sulfones and mixtures thereof BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030130366-A1 Polyisocyanate polyaddition products ARLT ANDREAS (DE) 2003-07-10 US disclosed
US-6495611-B1 MATTRESS OR FURNITURE UPHOLSTERY OR CARPET BACKING COMPRISING A FLEXIBLE POLYURETHANE FOAM COMPRISING HYDROPHOBIC COMPOUNDS PLUS AT LEAST ONE CYCLODEXTRIN, RESORCINARENE, CYCLOPHANE AND/OR CYCLOCALIXARENE BASF AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6183869-B1 HEAT RESISTANT RESIN, FLUORORESIN AND COUPLER WITH PRIMER FOR MULTILAYER ELEMENT FUJI XEROX CO., LTD. (JP) 2001-02-06 US disclosed