SCHEMBL8003950

SCHEMBL8003950

Cc1ccc(CN2CCC(C(=O)NO)CC2S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.54
ADAM17 P78536 12/20 0.54
MMP13 P45452 4/20 0.54
MMP9 P14780 2/20 0.54
ADAMTS4 O75173 1/20 0.49
SPHK1 Q9NYA1 1/20 0.44
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42
MMP16 P51512 1/20 0.42
MMP26 Q9NRE1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 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
SCHEMBL7413557 0.90 MMP1 (0.50) MMP1ADAM17MMP13MMP9ADAMTS4
SCHEMBL7507039 0.88 MMP1 (0.48) MMP1ADAM17MMP13MMP9SPHK1
SCHEMBL8003903 0.87 MMP1 (0.57) MMP1ADAM17MMP13MMP9ADAMTS4
SCHEMBL19066004 0.83 MMP1 (0.50) MMP1ADAM17MMP13MMP9ADAMTS4
SCHEMBL7511310 0.80 MMP1 (0.50) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7594294 0.80 MMP1 (0.55) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7512525 0.79 MMP1 (0.53) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7625228 0.78 MMP1 (0.44) MMP1ADAM17MMP13MMP9MMP2
SCHEMBL7506020 0.78 S1PR5 (0.53) MMP1ADAM17MMP13MMP9SPHK1
SCHEMBL7622790 0.78 MMP1 (0.53) MMP1ADAM17MMP13MMP9ADAMTS4

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