SCHEMBL8003903

SCHEMBL8003903

CN1CCC(C(=O)NO)CC1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.57
ADAM17 P78536 12/20 0.57
MMP13 P45452 5/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP9 P14780 2/20 0.47
SLC6A5 Q9Y345 1/20 0.46
PKM P14618 1/20 0.45
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
MMP16 P51512 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
SCHEMBL7407350 0.89 MMP1 (0.48) MMP1ADAM17MMP13ADAMTS4MMP9
SCHEMBL8003950 0.87 MMP1 (0.54) MMP1ADAM17MMP13ADAMTS4MMP9
SCHEMBL7412782 0.86 MAPT (0.51) MMP1ADAM17PKM
SCHEMBL7650964 0.77 MMP1 (0.51) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7413557 0.76 MMP1 (0.50) MMP1ADAM17MMP13ADAMTS4MMP9
SCHEMBL19066004 0.76 MMP1 (0.50) MMP1ADAM17MMP13ADAMTS4MMP9
SCHEMBL7513095 0.74 KMT2A (0.47) MMP1ADAM17MMP13MMP9PKM
SCHEMBL7507039 0.74 MMP1 (0.48) MMP1ADAM17MMP13MMP9PKM
SCHEMBL7628372 0.74 MMP1 (0.49) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7594294 0.73 MMP1 (0.55) MMP1ADAM17MMP13MMP9BCL2L1

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
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed