SCHEMBL28296252

SCHEMBL28296252

CC(=O)NCC(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.53
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ENPP2 Q13822 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
SCHEMBL9700367 0.80 GSR (0.57) GSREPHX2NR1H4MMP2MMP9
SCHEMBL7444387 0.78 RAB9A (0.55) ALDH1A1PKMCA12CA1CA2
SCHEMBL7436867 0.78 HSD17B3 (0.52) NR1H4ALDH1A1CA12CA1CA2
SCHEMBL15464830 0.77 EGLN1 (0.47) GSREPHX2NR1H4ALDH1A1CA12
SCHEMBL3323642 0.77 GSK3B (0.53) ALDH1A1POLBMAPTRAB9AKMT2A
SCHEMBL3786992 0.77 GSK3B (0.53) ALDH1A1POLBMAPTRAB9AKMT2A
SCHEMBL25876517 0.77 GSR (0.57) GSREPHX2NR1H4MMP2MMP9
SCHEMBL7440297 0.77 KMT2A (0.54) ALDH1A1POLBMAPTRAB9AKMT2A
SCHEMBL5058142 0.76 GSR (0.61) GSRMMP2MMP9MMP8PTGS2
SCHEMBL1185872 0.76 GSR (0.61) GSRMMP2MMP9MMP8PTGS2

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-109797174-B Preparation method of florfenicol intermediate 弈柯莱生物科技(上海)股份有限公司 2020-12-29 CN disclosed
CN-109797174-A A kind of preparation method of florfenicol midbody 上海弈柯莱生物医药科技有限公司 2019-05-24 CN disclosed