SCHEMBL7651141

SCHEMBL7651141

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(-c2ccc(Oc3ccc(-c4ccncc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.40
MMP3 P08254 9/20 0.40
MMP7 P09237 7/20 0.40
MMP9 P14780 7/20 0.40
MMP2 P08253 6/20 0.40
MMP8 P22894 5/20 0.40
MMP14 P50281 5/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP12 P39900 5/20 0.38
MMP15 P51511 4/20 0.38
MMP16 P51512 4/20 0.38
MMP26 Q9NRE1 4/20 0.38

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
SCHEMBL7674837 1.00 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7659469 0.91 LMNA (0.39) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7654894 0.89 LMNA (0.41) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7658355 0.88 ESR1 (0.39) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7661855 0.88 ESR1 (0.39) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7658849 0.86 LMNA (0.36) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7654948 0.84 MMP1 (0.38) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7659859 0.84 LMNA (0.39) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7658123 0.83 LMNA (0.42) MMP1MMP3MMP7MMP9MMP2
SCHEMBL7658139 0.83 LMNA (0.39) MMP1MMP3MMP7MMP9MMP2

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-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed