SCHEMBL27969331

SCHEMBL27969331

CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SYK P43405 1/20 0.49
STS P08842 1/20 0.48
LIPC P11150 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
CNR1 P21554 1/20 0.48
HDAC4 P56524 2/20 0.47
P2RY14 Q15391 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
CCR8 P51685 1/20 0.45
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13506414 0.87 ALDH1A1 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2850434 0.86 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL20570938 0.86 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL5127224 0.85 MAPT (0.62) MAPTHTTSTSLIPCLIPG
SCHEMBL2851762 0.84 MAPT (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22588119 0.84 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2860350 0.82 MAPK1 (0.58) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL14525000 0.82 ALDH1A1 (0.57) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3585694 0.81 LIPG (0.64) ALDH1A1LIPCLIPGKDM4E
SCHEMBL1704151 0.81 ALDH1A1 (0.72) ALDH1A1MAPTNPC1MAPK1HTT

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-103958484-A Oxazolidinone derivative, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2014-07-30 CN disclosed