SCHEMBL6880901

SCHEMBL6880901

Cc1cc(O)ccc1C(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.53
HSP90AA1 P07900 3/20 0.53
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK4 Q16654 9/20 0.44
PDK1 Q15118 8/20 0.44
PDK3 Q15120 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B1 P14061 1/20 0.43
CES2 O00748 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL24941116 0.84 PDK2 (0.45) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL11576641 0.82 PDK2 (0.68) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL16994749 0.82 SMN1; SMN2 (0.51) ALDH1A1MEN1TP53MAPTKMT2A
SCHEMBL27412032 0.79 HSD17B1 (0.40) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL10370024 0.79 CES2 (0.60) PDK2ALDH1A1SMN1; SMN2PDK4CYP3A4
SCHEMBL764844 0.79 SMN1; SMN2 (0.50) PDK2ALDH1A1MEN1NPC1TP53
SCHEMBL30451635 0.78 ALDH1A1 (0.51) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL355779 0.78 PDK2 (0.47) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL20060875 0.78 ALDH1A1 (0.51) PDK2HSP90AA1ALDH1A1MEN1NPC1
SCHEMBL824683 0.78 HPGD (0.51) ALDH1A1MEN1NPC1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed