SCHEMBL10000908

SCHEMBL10000908

C=C(C)C(=O)NC(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.38
EEF2K O00418 1/20 0.37
TGFBR1 P36897 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK1 Q13546 1/20 0.36
KCNA5 P22460 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
TACR1 P25103 1/20 0.34
SCN3A Q9NY46 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL15132334 0.88 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EEEF2KHPGD
SCHEMBL15132233 0.79 RIPK1 (0.62) ALDH1A1LMNAKDM4EEEF2KHPGD
SCHEMBL15132254 0.79 LMNA (0.41) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL15132349 0.79 EEF2K (0.38) ALDH1A1LMNAKDM4EEEF2KHPGD
SCHEMBL8577983 0.76 TGFBR1 (0.41) ALDH1A1LMNAKDM4ETGFBR1HPGD
SCHEMBL10000907 0.76 TGFBR1 (0.40) TGFBR1
SCHEMBL15132282 0.75 HPGD (0.33) ALDH1A1HPGDMEN1KMT2ATACR1
SCHEMBL10000904 0.74 TGFBR1 (0.39) TGFBR1
SCHEMBL9068085 0.74 SMN1; SMN2 (0.47) ALDH1A1KDM4EEEF2KMEN1KMT2A
SCHEMBL28201839 0.73 ALDH1A1 (0.59) ALDH1A1HTT

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
EP-2622960-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME Central Glass Company, Limited (JP) 2013-08-07 EP disclosed
WO-2012043619-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME セントラル硝子株式会社 (JP) 2012-04-05 WO disclosed