SCHEMBL11425307

SCHEMBL11425307

N#CCC(=O)OC1C=CC(OC(=O)CC#N)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11425304 1.00 POLB (0.35) POLBGAATDP1KMT2ACTSL
SCHEMBL5348431 0.79 NAAA (0.46) POLBGAATDP1KMT2AMCL1
SCHEMBL5357978 0.77 CYP2C19 (0.49) POLBGAATDP1KMT2ACTSK
SCHEMBL5354726 0.75 NAAA (0.42) POLBGAATDP1KMT2AMCL1
SCHEMBL5348250 0.74
SCHEMBL11414218 0.72 LMNA (0.49) ALDH1A1
SCHEMBL20523919 0.68 LMNA (0.53) POLBGAATDP1KMT2ACTSL
SCHEMBL774942 0.68 TDP1 (0.39) POLBGAATDP1KMT2ACTSL
SCHEMBL2541139 0.67 CA12 (0.40) POLBKMT2AALDH1A1CYP3A4MEN1
SCHEMBL2541143 0.67 CA12 (0.40) POLBKMT2AALDH1A1CYP3A4MEN1

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-4180676-A Conversion of conjugated diolefins to diacyloxy olefins PHILLIPS PETROLEUM COMPANY (US) 1979-12-25 US claimed
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US claimed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US claimed
US-4242228-A URANIUM COMPOUND, ALKALI METAL COMPOUND, HALIDE AND DIHALOBUTENE AND/OR CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-12-30 US disclosed
US-4216119-A IN A CARBOXYLIC ACID MEDIA PHILLIPS PETROLEUM COMPANY (US) 1980-08-05 US disclosed
US-4213879-A HYDROCARBYL TITANIUM COMPOUND OR HYDROCARBYL TITANIUM HALIDE PROVE USEFUL IN THE OXIDATION OF CONJUGATED DIOLEFINS TO DIACYLOXY OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1980-07-22 US disclosed
US-4180676-A Conversion of conjugated diolefins to diacyloxy olefins PHILLIPS PETROLEUM COMPANY (US) 1979-12-25 US disclosed
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US disclosed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed