SCHEMBL28975583

SCHEMBL28975583

C=CS(=O)(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MMP1 P03956 2/20 0.36
MMP12 P39900 2/20 0.36
GAA P10253 1/20 0.36
MMP13 P45452 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
APEX1 P27695 1/20 0.34
MMP8 P22894 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.31

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
SCHEMBL31120884 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27446659 0.77
SCHEMBL8634166 0.76 CA12 (0.43) LMNAGAAHSD17B10KDM4EALDH1A1
SCHEMBL15380870 0.74 CA12 (0.42)
SCHEMBL1855272 0.73 MMP12 (0.38) LMNAMMP1MMP12GAAMMP13
SCHEMBL26181256 0.73 LMNA (0.32) LMNAGAAALDH1A1KMT2A
SCHEMBL15416059 0.71 USP2 (0.31)
SCHEMBL8033032 0.71 TGM2 (0.33)
SCHEMBL4095283 0.71 TGM2 (0.33)
SCHEMBL4070631 0.70 CA12 (0.46) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed