SCHEMBL22847464

SCHEMBL22847464

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NC

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.91
FCER2 P06734 12/20 0.91
MMP2 P08253 7/20 0.91
MMP3 P08254 6/20 0.91
MMP7 P09237 4/20 0.91
MMP8 P22894 4/20 0.91
ADAM17 P78536 3/20 0.91
MMP9 P14780 3/20 0.91
MMP13 P45452 3/20 0.91
MMP14 P50281 3/20 0.91
MMP12 P39900 1/20 0.56

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
Batimastat SCHEMBL10052355 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12561510 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL20793035 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4333 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL17521974 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12336015 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL22803645 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4332 0.95 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
SCHEMBL23258231 0.93 MMP1 (0.86) MMP1FCER2MMP2MMP3MMP7
SCHEMBL25602214 0.93 MMP1 (0.82) MMP1FCER2MMP2MMP3MMP7

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-2020263888-A1 CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 WO disclosed