SCHEMBL698842

SCHEMBL698842

Cc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.63
▸ MMP2 P08253 9/20 0.57
▸ MMP13 P45452 5/20 0.57
▸ MMP3 P08254 3/20 0.57
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A2 P43004 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56
▸ MMP9 P14780 9/20 0.55
▸ MMP1 P03956 3/20 0.55
▸ MMP7 P09237 2/20 0.55
▸ ADAMTS4 O75173 3/20 0.54
▸ MMP8 P22894 2/20 0.54
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL698843 1.00 TDP1 (0.63) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL4339865 1.00 TDP1 (0.63) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL10967894 0.88 TDP1 (0.60) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL5189409 0.88 TDP1 (0.60) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL4041026 0.88 TDP1 (0.60) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL11571551 0.86 TDP1 (0.55) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL5193396 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL3392197 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL3397101 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL1734695 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905100-A The method for splitting and its intermediate of chiral aminated compounds 联化科技(台州)有限公司 2017-06-30 — — CN claimed
JP-4018057-A — — None — — JP disclosed
WO-2019208721-A1 HAIR MOISTURIZER, WHITENING AGENT, AND WHITENING COSMETIC 株式会社成和化成 (JP) 2019-10-31 — — WO disclosed
CN-106905100-A The method for splitting and its intermediate of chiral aminated compounds 联化科技(台州)有限公司 2017-06-30 — — CN disclosed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 — — EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 — — EP disclosed
JP-H0418057-A PRODUCTION OF OPTICALLY ACTIVE 1,2-PROPANEDIAMINE TORAY IND INC 1992-01-22 — — JP disclosed
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