SCHEMBL7941422

SCHEMBL7941422

COc1ccc(CCC(=O)OCCO)cc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
EPHX1 P07099 1/20 0.45
PTGDR2 Q9Y5Y4 5/20 0.45
PTGDR Q13258 1/20 0.44
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
APP P05067 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 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
SCHEMBL8432177 0.89 PTGDR2 (0.46) MEN1KMT2AALOX5EPHX1PTGDR2
SCHEMBL8595037 0.84 NUDT1 (0.58) MEN1KMT2AALDH1A1ALOX5PTGDR2
SCHEMBL7792860 0.84 PTGDR2 (0.55) MEN1KMT2AEPHX1PTGDR2PTGDR
SCHEMBL6565778 0.84 NUDT1 (0.48) MEN1KMT2AEPHX1PTGDR2PTGDR
SCHEMBL6567763 0.81 TNKS2 (0.47) MEN1KMT2AEPHX1PTGDR2PTGDR
SCHEMBL7933549 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX5CYP4F2
SCHEMBL7944788 0.80 PTGDR2 (0.47) MEN1KMT2AALDH1A1PTGDR2PTGDR
SCHEMBL7941368 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX5PTGDR2
SCHEMBL7941423 0.79 ALDH1A1 (0.46) MEN1KMT2AALDH1A1ALOX5
SCHEMBL24028163 0.78 PTGDR2 (0.49) MEN1KMT2AALDH1A1EPHX1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed