SCHEMBL7657258

SCHEMBL7657258

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCCSc2nccs2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MMP13 P45452 1/20 0.32
MMP3 P08254 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MMP8 P22894 2/20 0.30
REN P00797 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL7057176 1.00 F2 (0.32) F2F10ALDH1A1MMP13MMP3
SCHEMBL7060192 0.89 GRIN2B (0.32) ALDH1A1MMP13MMP3MMP1MMP2
SCHEMBL7056677 0.88 KMT2A (0.33) ALDH1A1MMP13MMP3KMT2AMEN1
SCHEMBL7057619 0.88 ALDH1A1 (0.36) ALDH1A1MMP13MMP1KMT2AMEN1
SCHEMBL7059005 0.86 ALDH1A1 (0.36) ALDH1A1MMP13MMP3KMT2AMEN1
SCHEMBL7054421 0.86 ALDH1A1 (0.36) ALDH1A1MMP13MMP3MMP1KMT2A
SCHEMBL7353510 0.86 REN (0.31) REN
SCHEMBL7056516 0.86 POLB (0.32) ALDH1A1MMP13KMT2AMEN1LMNA
SCHEMBL7353809 0.85 MMP8 (0.40) F2F10MMP3MMP1MMP2
SCHEMBL7060309 0.85 ALDH1A1 (0.38) ALDH1A1MMP3MMP1MMP2MMP7

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