SCHEMBL29612792

SCHEMBL29612792

CC(C)[C@H](NS(=O)(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MMP2 P08253 12/20 0.47
MMP9 P14780 12/20 0.47
MMP3 P08254 10/20 0.47
MMP13 P45452 10/20 0.47
MMP1 P03956 9/20 0.47
MMP7 P09237 9/20 0.47
ADAMTS4 O75173 3/20 0.47
MMP14 P50281 1/20 0.45
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP8 P22894 1/20 0.42

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
SCHEMBL27786206 0.86 KDM4E (0.37) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL29573798 0.84 CA2 (0.40) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL13612445 0.84 KDM4E (0.47) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL5839741 0.81 KDM4E (0.49) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL5839738 0.81 KDM4E (0.49) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL9115909 0.79 KDM4E (0.47) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL7477399 0.79 MMP2 (0.47) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL7477404 0.79 MMP2 (0.47) KDM4EMMP2MMP9MMP3MMP13
SCHEMBL30356994 0.79 ALDH1A1 (0.52)
SCHEMBL9188981 0.77 CA12 (0.50) KDM4EMMP2MMP9MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111741951-B Amide compound or salt thereof, agricultural/horticultural fungicide containing the same, and method for using the same 日本农药株式会社 2023-08-18 CN disclosed
CN-112646002-B Sulfoamino acid modified antioxidant oligopeptide and preparation thereof 浙江海洋大学 2023-05-02 CN disclosed
CN-115052482-A Compositions having pesticidal utility and methods relating thereto 科迪华农业科技有限责任公司 2022-09-13 CN disclosed
CN-114391014-A Pyridazine compound and herbicide 日本曹达株式会社 2022-04-22 CN disclosed