SCHEMBL9281151

SCHEMBL9281151

CCCCOC(=O)N1CC[C@H]([C@@H](CO)Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
LIPE Q05469 2/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A5 Q9Y345 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC7 Q9HCX4 1/20 0.37
P2RY12 Q9H244 2/20 0.37
MCHR1 Q99705 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9280632 0.90 LIPC (0.40) LIPCLIPGMMP13MMP2MMP3
SCHEMBL14830588 0.89 MMP13 (0.40) LIPCLIPGMMP13MMP2MMP3
SCHEMBL9108211 0.86 MMP13 (0.45) MMP13LIPEEPHX2
SCHEMBL9108220 0.86 MMP13 (0.45) MMP13LIPEEPHX2
SCHEMBL9110045 0.77 DPP4 (0.45) MMP13EPHX2
SCHEMBL9110055 0.77 DPP4 (0.45) MMP13EPHX2
SCHEMBL15428476 0.76 SLC6A4 (0.41) LIPESLC6A4SLC6A5HRH3HPGD
SCHEMBL14837995 0.76 MMP13 (0.43) MMP13LIPEEPHX2
SCHEMBL1689415 0.76 MMP13 (0.43) MMP13LIPEEPHX2
SCHEMBL9107353 0.76 MMP13 (0.45) MMP13EPHX2

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
WO-2012075239-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 WO disclosed