SCHEMBL7606415

SCHEMBL7606415

O=C(O)CCCOC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SLC22A6 Q4U2R8 2/20 0.53
TSHR P16473 5/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 2/20 0.46
CAMK2A Q9UQM7 1/20 0.46
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
HDAC3 O15379 1/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRR2 P28476 1/20 0.43

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
SCHEMBL1268742 0.92 LMNA (0.58) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2173451 0.90 TSHR (0.60) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL7193518 0.90 TSHR (0.60) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27450445 0.90 TSHR (0.60) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27832799 0.90 TSHR (0.60) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL30975116 0.90 TSHR (0.60) LMNASLC22A6TSHRNFKB1PMP22
Ethylene Glycol SCHEMBL9406060 0.85 GPR84 (0.52) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL21899731 0.83 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1205642 0.82
SCHEMBL29059 0.82 ALDH1A1 (0.39) LMNATSHRALDH1A1KMT2A

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-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
WO-2012096404-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 WO disclosed
EP-1462512-B1 Compositions comprising complexes of cyclodextrin and at least one laundry treatment active PROCTER & GAMBLE (US) 2007-08-01 EP disclosed
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US disclosed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US disclosed
CN-1046894-C Laminated transparent plastic material and polymerizable monomer MITSUI TOATSU CHEMICALS (JP) 1999-12-01 CN disclosed
CN-1075151-A Laminated transparent plastic material and polymerisable monomer MITSUI TOATSU CHEMICALS (JP) 1993-08-11 CN disclosed