SCHEMBL6910501

SCHEMBL6910501

O=C(O)CC(=O)OCc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CASP1 P29466 2/20 0.49
NR1H4 Q96RI1 1/20 0.48
FFAR1 O14842 1/20 0.47
PTPN7 P35236 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
MAOB P27338 1/20 0.45
TACR1 P25103 1/20 0.45
PLA2G4B P0C869 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44

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
SCHEMBL6910495 0.92 SLC1A3 (0.50) CYP1A2SLC1A3SLC1A2SLC1A1CASP1
SCHEMBL27787124 0.84 GAA (0.52) CYP1A2SLC1A3SLC1A2SLC1A1TACR1
SCHEMBL6443298 0.83 SLC1A3 (0.55) CYP1A2SLC1A3SLC1A2SLC1A1PTPN7
SCHEMBL5215830 0.82 SLC1A3 (0.48) CYP1A2SLC1A3SLC1A2SLC1A1CASP1
SCHEMBL28413975 0.82 CYP1A2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL9411099 0.82 PTPN1 (0.49) CYP1A2SLC1A3SLC1A2SLC1A1CASP1
SCHEMBL28936084 0.81 CYP1A2 (0.54) CYP1A2SLC1A3SLC1A2SLC1A1TACR1
SCHEMBL338280 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1POLBKMT2A
SCHEMBL4682638 0.81 ALDH1A1 (0.69) CYP1A2SLC1A3SLC1A2SLC1A1CASP1
Hydrochloric Acid SCHEMBL27504503 0.81 CYP1A2 (0.50) CYP1A2SLC1A3SLC1A2SLC1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813554-B1 METHOD FOR PRODUCING A PREPOLYMERIZED CATALYST EXXONMOBIL CHEM PATENTS INC (US) 2004-04-07 EP disclosed
US-6010588-A MELT PROCESSING USING CATALYST; FORMING FIBER; DRAWING EXXON CHEMICAL PATENTS INC. (US) 2000-01-04 US disclosed
WO-1994028034-A9 SUPPORTED METALLOCENE CATALYST SYSTEMS FOR THE POLYMERIZATION OF OLEFINS, PREPARATION AND USE THEREOF EXXON CHEMICAL PATENTS INC (US) 1999-07-29 WO disclosed
EP-0758355-B1 APPLICATIONS OF ISOTACTIC POLYPROPYLENE, PROCESSES AND PRODUCTS THEREOF EXXON CHEMICAL PATENTS INC (US) 1998-12-09 EP disclosed
EP-0854212-A1 Novel polyolefin fibers and their fabrics EXXON CHEMICAL PATENTS INC. (US) 1998-07-22 EP disclosed
US-5736465-A ONE STEP CATALYTIC POLYMERIZED POLYPROPYLENE; AIR PERMEABILITY; FILTERS EXXON CHEMICAL PATENTS INC. (US) 1998-04-07 US disclosed
US-5723217-A MOLECULAR WEIGHT EXXON CHEMICAL PATENTS INC. (US) 1998-03-03 US disclosed
EP-0813554-A1 METHOD FOR PRODUCING A PREPOLYMERIZED CATALYST EXXON CHEMICAL PATENTS INC. (US) 1997-12-29 EP disclosed
EP-0739346-A1 USE OF GEL-FREE ALUMOXANE SOLUTION EXXON CHEMICAL PATENTS INC. (US) 1996-10-30 EP disclosed
WO-1996028479-A1 METHOD FOR PRODUCING A PREPOLYMERIZED CATALYST EXXON CHEMICAL PATENTS INC. (US) 1996-09-19 WO disclosed
EP-0700464-A1 NOVEL POLYOLEFIN FIBERS AND THEIR FABRICS EXXON CHEMICAL PATENTS INC. (US) 1996-03-13 EP disclosed
US-5468440-A Forming structure from polypropylene resin produced using metallocene catalyst, orienting structure by applying stress at temperature 20-35 degrees C. above Heat Distortion Test value of polypropylene EXXON CHEMICAL PATENTS INC. (US) 1995-11-21 US disclosed
WO-1995018809-A1 USE OF GEL-FREE ALUMOXANE SOLUTION EXXON CHEMICAL PATENTS INC. (US) 1995-07-13 WO disclosed
WO-1994028219-A1 NOVEL POLYOLEFIN FIBERS AND THEIR FABRICS EXXON CHEMICAL PATENTS INC. (US) 1994-12-08 WO disclosed