SCHEMBL901261

SCHEMBL901261

CC(C)Cc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FOLH1 Q04609 2/20 0.44
GFER P55789 1/20 0.42
CLCN2 P51788 1/20 0.41
HMGB1 P09429 1/20 0.41
ALOX15 P16050 1/20 0.40
DHODH Q02127 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
AKR1C2 P52895 2/20 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
SCHEMBL3671508 0.97 GABRA1 (0.47) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL3677526 0.91 GABRA1 (0.42) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL8146758 0.89 GABRA1 (0.57) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL17961587 0.88 FOLH1 (0.43) LMNAALDH1A1HPGDMEN1KMT2A
Styrene SCHEMBL480425 0.87 ALDH1A1 (0.41) GABRA1GABRB2LMNAALDH1A1HPGD
Trimethylammonium SCHEMBL28124204 0.85 FOLH1 (0.41) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL6558527 0.84 FOLH1 (0.45) ALDH1A1KMT2AFOLH1CLCN2HMGB1
SCHEMBL157592 0.83 FOLH1 (0.53) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL1971896 0.83 TSHR (0.51) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL9338483 0.83 FOLH1 (0.49) ALDH1A1FOLH1CLCN2HMGB1KDM4E

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 173 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
CN-105572276-A Pancreatic cancer diagnostic marker combination as well as application and determination method thereof SHANGHAI 6TH PEOPLE'S HOSPITAL 2016-05-11 CN claimed
EP-2347064-A1 REMOVABLE SURFACE COATING Tarkett GDL S.A. (LU) 2011-07-27 EP claimed
WO-2010049387-A1 REMOVABLE SURFACE COATING TARKETT GDL S.A. (LU) 2010-05-06 WO claimed
EP-1369463-B1 Adhesive composition UHU GMBH & CO KG (DE) 2007-09-12 EP claimed
EP-1664177-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT Oxeno Olefinchemie GmbH (DE) 2006-06-07 EP claimed
WO-2005026249-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2005-03-24 WO claimed
EP-1369463-A1 Adhesive composition UHU GmbH & Co. KG (DE) 2003-12-10 EP claimed
EP-0297824-B1 Method for crystallizing magnesium chloride for use in a catalyst composition SHELL OIL CO (US) 1994-08-17 EP claimed
EP-4025642-A1 HEALTHCARE ARTICLE COMPRISING A RANDOM PROPYLENE-ETHYLENE COPOLYMER SABIC Global Technologies B.V. (NL) 2022-07-13 EP disclosed
WO-2022145464-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION FOR 3D PRINTERS, AND CURED RESIN PRODUCT 三井化学株式会社 2022-07-07 WO disclosed
EP-3230339-B1 EPOXY RESIN COMPOSITION, PREPREG, FIBER-REINFORCED PLASTIC MATERIAL, AND MANUFACTURING METHOD FOR FIBER-REINFORCED PLASTIC MATERIAL TORAY INDUSTRIES (JP) 2022-03-23 EP disclosed
WO-2021080419-A1 APHID HYPERPARASITOID ATTRACTANT NEDERLANDS INSTITUUT VOOR ECOLOGIE (NIOO-KNAW) (NL) 2021-04-29 WO disclosed
WO-2021043784-A1 HEALTHCARE ARTICLE COMPRISING A RANDOM PROPYLENE-ETHYLENE COPOLYMER. SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-03-11 WO disclosed
US-4874737-A TREATING WITH A SILANE ALKOXIDE AT OR ABOVE TEMPERATURES AT WHICH THE ALCOHOL PRODUCT DISSOCIATES PRIOR TO METATHESIS SHELL OIL COMPANY (US) 1989-10-17 US disclosed
US-4855371-A Process for polymerizing olefins with a crystalline magnesium catalyst component SHELL OIL COMPANY (US) 1989-08-08 US disclosed
US-4806696-A USING BUFFER SHELL OIL COMPANY (US) 1989-02-21 US disclosed
US-4804648-A ALKOXY MAGNESIUM COMPOUND AND TITANIUM HALIDE SHELL OIL COMPANY (US) 1989-02-14 US disclosed
US-4710482-A COORDINATION CATALYST WITH HIGH ACTIVITY, SELECTIVITY AND MORPHOLOGY; SHELL OIL COMPANY (US) 1987-12-01 US disclosed