SCHEMBL29512262

SCHEMBL29512262

O=S(=O)(O)c1ccccc1CCc1ccc(-c2ccc(CCc3ccccc3S(=O)(=O)O)cc2)cc1.[Na].[Na]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 9/20 0.45
▸ MMP13 P45452 8/20 0.45
▸ MMP2 P08253 5/20 0.43
▸ MMP9 P14780 5/20 0.43
▸ MMP14 P50281 5/20 0.43
▸ MMP1 P03956 4/20 0.43
▸ MMP3 P08254 4/20 0.43
▸ MMP8 P22894 4/20 0.43
▸ MMP16 P51512 3/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ SLC16A3 O15427 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ SLC6A2 P23975 1/20 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
SCHEMBL27603666 0.87 ALDH1A1 (0.46) FFAR1HTR2AHTR2CSLC16A3MYC
SCHEMBL4202392 0.85 MYC (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL30446463 0.85 MYC (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL24900442 0.80 MME (0.34) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28434382 0.79 MMP12 (0.40) MMP12MMP13MMP2MMP9MMP14
SCHEMBL23322461 0.77 HDAC1 (0.44) HTR2ACA2MEN1KMT2ARXFP1
SCHEMBL10946611 0.76 BID (0.50) CA2MEN1KMT2ARXFP1
SCHEMBL11583360 0.76 ALDH1A1 (0.42) FFAR1SLC16A3
SCHEMBL1807544 0.76 MYC (0.43) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11341783 0.76 MGLL (0.47) MYCRXFP1

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
CN-111511887-B Integrated laundry detergent article 宝洁公司 2022-04-08 — — CN claimed
CN-111511887-B Integrated laundry detergent article 宝洁公司 2022-04-08 — — CN disclosed
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