SCHEMBL20116442

SCHEMBL20116442

CCN(C)c1ccc(C#N)cc1OCC=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
MMP2 P08253 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.32
CRHR1 P34998 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MMP3 P08254 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NCEH1 Q6PIU2 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL19086308 0.77 CTSL (0.43) TRPV4MMP2ALDH1A1CYP19A1CTSL
SCHEMBL25077680 0.74 TRPV4 (0.38) TRPV4MMP2ALDH1A1CYP19A1MMP3
SCHEMBL4798754 0.73 ALDH1A1 (0.36) TRPV4ALDH1A1
SCHEMBL4673669 0.72 TRPV4 (0.54) TRPV4ALDH1A1HRH4
SCHEMBL14497430 0.69 ALDH1A1 (0.41) ALDH1A1HCRTR1HCRTR2
SCHEMBL515057 0.67 MMP2 (0.49) MMP2LMNAALDH1A1MMP3
SCHEMBL11819313 0.67 ALDH1A1 (0.41) TRPV4ALDH1A1NCEH1
SCHEMBL15776319 0.66 ALDH1A3 (0.45) TRPV4LMNAALDH1A1CRHR1HRH4
SCHEMBL25077636 0.66 MEN1 (0.36) TRPV4MMP2ALDH1A1MMP3NCEH1
SCHEMBL2561546 0.64 TBXAS1 (0.46)

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed