SCHEMBL2979132

SCHEMBL2979132

O=C(O)c1cc(C(=O)O)cc(C2=CC(C(=O)O)(C(=O)O)CC=C2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
GRM1 Q13255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL8210519 0.70
SCHEMBL145349 0.65 DHODH (0.58) DHODHKDM4EMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL28786184 0.63 DHODH (0.56) DHODHKDM4EMAPTALDH1A1TDP1
SCHEMBL15521765 0.63 DHODH (0.57) DHODHKDM4EMAPTALDH1A1TDP1
Benzene SCHEMBL28495154 0.63 DHODH (0.61) DHODHKDM4EMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL28650830 0.63 DHODH (0.56) DHODHKDM4EMAPTALDH1A1TDP1
Water SCHEMBL28587831 0.63 DHODH (0.56) DHODHKDM4EMAPTALDH1A1TDP1
SCHEMBL12203147 0.63 DHODH (0.57) DHODHKDM4EMAPTALDH1A1TDP1
SCHEMBL16271136 0.63 DHODH (0.56) DHODHKDM4EMAPTALDH1A1TDP1
SCHEMBL26189 0.62 CA12 (0.65) KDM4EMAPTALDH1A1TDP1MAPK1

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
US-7776996-B2 Continuous method for the production of polyamides BASF AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-20070161774-A1 Continuous method for the production of polyamides BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 US disclosed
US-6699960-B1 CONDENSATION POLYMERIZATION AND AMIDATION REACTION WITH WATER USING HETEROGENEOUS CATALYST COMPRISING ALUMINUM OXIDE, TIN OXIDE, SILICA; AND/OR OXIDES OF SECOND TO SIXTH TRANSITION METAL, LANTHANIDES, OR ACTINIDES BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-6590064-B1 Using metal oxides as polymerization catalysts to reduce extractable by-products from condensation of polylactams, used as fibers, fabrics or construction materials; process control BASF AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
US-6531570-B1 Hydrolysis of aminocapronitrile in the presence of promoters comprising caprolactam, aminocaproic acid and catalyst mixtures, to form chemical intermediates used in condensation polymerizations BASF AKTIENGESELLSCHAFT (DE) 2003-03-11 US disclosed
US-6359020-B1 RECYCLING EXTRACT WATER, I.E. AQUEOUS MONOMER AND OLIGOMER EXTRACTS OBTAINED FROM POLYAMIDE PRODUCTION BY EXTRACTION OF THE POLYMER WITH WATER, DIRECTLY WITHOUT PRIOR WORKUP, CONCENTRATING OR REMOVAL STEPS BASF AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
US-6355737-B1 REACTING AMINONITRILE WITH WATER; CONDENSATION POLYMERIZATION OF POLYAMIDES; CATALYSIS WITH BRONSTED ACID, ZEOLITE TYPE BETA, SHEET-SILICATE, OR TITANIUM DIOXIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
US-6310173-B1 REACTING WITH WATER AND A BETA-ZEOLITE, SHEET-SILICATE OR A TIO2 FIXED BED CATALYST; FURTHER REACTING AT A HIGHER TEMPERATURE AND LOWER PRESSURE BASF AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
US-6288207-B1 REACTING WITH WATER IN FLOW TUBE CONTAINING BRONSTED ACID CATALYST OF ZEOLITE TYPE BETA, SHEET-SILICATE, OR TITANIA; TRANSVERSE MIXING; AMIDATION, LACTAMIZATION BASF AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed