SCHEMBL27797201

SCHEMBL27797201

CC(CF)OC(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16965622 0.82 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1HPGDNPC1
SCHEMBL27818382 0.81 ALDH1A1 (0.41) GPR119ALDH1A1POLBHSD11B1HPGD
SCHEMBL28829189 0.81 ALDH1A1 (0.37) ALDH1A1POLBHPGDNPC1MAPT
SCHEMBL22978675 0.79 ALDH1A1 (0.42) ALDH1A1POLBHSD11B1HPGDNPC1
SCHEMBL12282193 0.78 ALDH1A1 (0.45) GPR119ALDH1A1POLBHSD11B1HPGD
SCHEMBL12283406 0.78 ALDH1A1 (0.45) GPR119ALDH1A1POLBHSD11B1HPGD
SCHEMBL390019 0.78 ALDH1A1 (0.45) GPR119ALDH1A1POLBHSD11B1HPGD
SCHEMBL16965427 0.78 MEN1 (0.43) ALDH1A1POLBHPGDHTTRAB9A
SCHEMBL27150333 0.77 ALDH1A1 (0.37) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL22978699 0.76 ALDH1A1 (0.44) ALDH1A1POLBHSD11B1HPGDNPC1

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-101896481-A Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2010-11-24 CN disclosed