SCHEMBL27671982

SCHEMBL27671982

COC(=O)C1CC(O)(c2ccccc2)CCC1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 9/20 0.55
MMP2 P08253 9/20 0.55
ERBB2 P04626 8/20 0.55
MMP9 P14780 6/20 0.55
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2174637 1.00 ADAM10 (0.55) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173705 1.00 ADAM10 (0.55) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL3458222 0.88 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL3457848 0.88 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
Trifluoroacetic Acid SCHEMBL2177021 0.81 ADAM10 (0.67) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173414 0.81 ADAM10 (0.53) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2172824 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173711 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL27671953 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173170 0.76 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9CTSB

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-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN disclosed