SCHEMBL6804943

SCHEMBL6804943

Cc1ncccc1COc1ccc(C[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
NMT1 P30419 6/20 0.44
MAOB P27338 6/20 0.39
MMP1 P03956 3/20 0.39
ADAM17 P78536 3/20 0.39
MMP13 P45452 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL3969638 0.84 FFAR1 (0.52) FFAR1NMT1MAOBMMP1ADAM17
SCHEMBL3969642 0.79 ALDH1A1 (0.57) FFAR1NMT1MMP1ADAM17MMP13
SCHEMBL14675544 0.79 FFAR1 (0.60) FFAR1FFAR4
Hydrochloric Acid SCHEMBL14675781 0.78 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL3962715 0.77 FFAR1 (0.51) FFAR1NMT1MAOBMMP1ADAM17
SCHEMBL3962712 0.77 FFAR1 (0.51) FFAR1NMT1MAOBMMP1ADAM17
SCHEMBL14676869 0.76 FFAR1 (0.57) FFAR1MAOB
SCHEMBL6800379 0.75 ALDH1A1 (0.63) MAOB
SCHEMBL4053035 0.74 FFAR1 (0.48) FFAR1NMT1MAOBMMP1ADAM17
SCHEMBL6810574 0.73 MMP13 (0.44) FFAR1MAOBMMP1ADAM17MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed