SCHEMBL28049259

SCHEMBL28049259

CC(C)(Cl)CC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
HPGD P15428 5/20 0.65
GAA P10253 2/20 0.65
RAB9A P51151 1/20 0.65
EPHX2 P34913 1/20 0.52
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
HSP90AA1 P07900 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL28133706 0.93 MAPT (0.77) MAPTHPGDGAARAB9AMEN1
SCHEMBL4110940 0.85 MAPT (0.86) MAPTHPGDGAARAB9AEPHX2
SCHEMBL11601296 0.85 MAPT (0.59) MAPTHPGDGAARAB9AEPHX2
SCHEMBL28682232 0.84 KMT2A (0.53) MAPTHPGDGAARAB9AMEN1
SCHEMBL20734732 0.81 MAPT (0.65) MAPTHPGDGAARAB9AEPHX2
SCHEMBL20734734 0.81 MAPT (0.65) MAPTHPGDGAARAB9AEPHX2
SCHEMBL16395827 0.80 MAPT (0.63) MAPTHPGDGAARAB9AEPHX2
SCHEMBL29275459 0.79 MAPT (0.61) MAPTHPGDGAARAB9AEPHX2
SCHEMBL11678952 0.79 MAPT (0.61) MAPTHPGDGAARAB9AEPHX2
SCHEMBL11603089 0.79 MAPT (0.61) MAPTHPGDGAARAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143195-A Furfural derivatives as a vehicle RHODIA OPERATIONS 2015-12-09 CN disclosed