SCHEMBL982769

SCHEMBL982769

COc1c(C)cccc1OC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NFE2L2 Q16236 2/20 0.44
MAPK1 P28482 1/20 0.42
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16585706 0.89 PTPN1 (0.50) PTPN1KDM4EHPGDALDH1A1HSD17B10
Bicarbonate SCHEMBL27404233 0.85 CA12 (0.53) PTPN1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2160012 0.85 NFE2L2 (0.54) KDM4EHPGDALDH1A1CA12CA1
SCHEMBL9425229 0.83 SLC6A3 (0.55) PTPN1HSD17B10L3MBTL1SMN1; SMN2TDP1
SCHEMBL28538825 0.81 PTPN1 (0.51) PTPN1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL982574 0.80 L3MBTL1 (0.58) PTPN1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL28088755 0.80 PTPN1 (0.47) PTPN1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL18196756 0.79 CA1 (0.59) KDM4EHPGDALDH1A1CA12CA1
SCHEMBL1837507 0.79 POLB (0.57) KDM4EHPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL9653758 0.79 MYC (0.44) PTPN1KDM4EHPGDALDH1A1HSD17B10

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
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed