SCHEMBL8664006

SCHEMBL8664006

CCOC(=O)C(C(=O)CCC(F)(F)F)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
AURKA O14965 1/20 0.33
NTRK1 P04629 1/20 0.33
HTT P42858 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27955574 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10KMT2AGAA
SCHEMBL196812 0.75 CYP1A2 (0.48) ALDH1A1LMNAHSD17B10KMT2AMEN1
SCHEMBL28271057 0.74 ALOX15 (0.38) ALDH1A1LMNAHSD17B10HTTGAA
SCHEMBL22909587 0.74 ALOX15 (0.38) ALDH1A1LMNAHSD17B10HTTGAA
SCHEMBL19465643 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10KMT2AMEN1
SCHEMBL8157644 0.74 TDP1 (0.42) ALDH1A1LMNAHSD17B10KMT2AMEN1
SCHEMBL8620543 0.73
SCHEMBL4612571 0.73 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10KMT2AGAA
SCHEMBL6560551 0.72 CES2 (0.50)
SCHEMBL4918392 0.72 FAAH (0.43) ALDH1A1LMNAHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817880-A 2-FLUOROALKYL-4-HYDROXYCYCLOPENT-2-ENONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-06 US disclosed
US-5672779-A INTERMEDIATE FOR PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-09-30 US disclosed
US-5653990-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-05 US disclosed
US-5550258-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-27 US disclosed
EP-0688758-A1 Ester compound, agent for controlling noxious organisms containing the same as active ingredient, and production intermediate thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-12-27 EP disclosed