SCHEMBL7668609

SCHEMBL7668609

O=C(NO)[C@H]1CN(S(=O)(=O)CCCC(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.40
MMP8 P22894 2/20 0.40
MMP1 P03956 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 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
Hydrochloric Acid SCHEMBL7055490 0.88 MMP8 (0.40) MMP3MMP8POLB
SCHEMBL7059663 0.88 MMP8 (0.42) MMP3MMP8MMP1MMP7MMP9
SCHEMBL7053151 0.86 SMN1; SMN2 (0.34) MMP1MMP13POLBSMN1; SMN2RAB9A
SCHEMBL7057216 0.85 MMP8 (0.42) MMP3MMP8MMP1MMP7MMP9
Hydrochloric Acid SCHEMBL7054481 0.82 MMP8 (0.40) MMP3MMP8MMP1MMP9MMP13
SCHEMBL7054506 0.81 GAA (0.43) MMP3MMP8MMP1MMP7MMP9
SCHEMBL7057731 0.79 MMP9 (0.55) MMP3MMP8MMP1MMP7MMP9
SCHEMBL7054271 0.78 MMP3 (0.43) MMP3MMP8MMP1MMP7MMP13
Hydrochloric Acid SCHEMBL7059703 0.78 MMP8 (0.51) MMP3MMP8MMP1MMP7MMP13
SCHEMBL7353809 0.78 MMP8 (0.40) MMP3MMP8MMP1MMP7MMP9

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-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed