SCHEMBL7657254

SCHEMBL7657254

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CC(S)Cc2nccs2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
ALDH1A1 P00352 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
MMP13 P45452 4/20 0.32
MMP1 P03956 2/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7057175 1.00 REN (0.33) RENALDH1A1F2F10MMP13
SCHEMBL7060190 0.89 KMT2A (0.31) ALDH1A1MMP13MMP1MMP2MMP3
SCHEMBL7353804 0.86 MMP8 (0.39) MMP1MMP2MMP3MMP7
SCHEMBL7057176 0.83 F2 (0.32) RENALDH1A1F2F10MMP13
SCHEMBL7657258 0.83 F2 (0.32) RENALDH1A1F2F10MMP13
SCHEMBL7055447 0.83 HTR2B (0.32)
SCHEMBL7060272 0.83 MEN1 (0.31) MEN1KMT2A
SCHEMBL7344974 0.82 MMP13 (0.39) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7057619 0.82 ALDH1A1 (0.36) ALDH1A1MMP13MMP1MEN1KMT2A
SCHEMBL7060309 0.82 ALDH1A1 (0.38) ALDH1A1MMP1MMP2MMP3MMP7

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