SCHEMBL9388602

SCHEMBL9388602

CN(C)C(=O)OCC1C(=O)N2C(C(=O)O)=CCS[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
SLC15A2 Q16348 1/20 0.36
SPOP O43791 1/20 0.35
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7636710 0.86 NR1I2 (0.39) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL8882343 0.84 KDM4E (0.39) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL8077885 0.84 NR1I2 (0.42) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL10693978 0.83 NR1I2 (0.39) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL10436335 0.79 KDM4E (0.40) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL8718137 0.79 KDM4E (0.39) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL9190737 0.78 KDM4E (0.41) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL10696803 0.78 KDM4E (0.41) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL9198941 0.78 SPOP (0.41) NR1I2PGRPTGS2KDM4ETDP1
SCHEMBL10670083 0.77 KDM4E (0.42) NR1I2PGRPTGS2KDM4ETDP1

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
JP-6092969-A None JP disclosed
JP-H0692969-A 7-ACYL-3-SUBSTITUTED CARBAMOYLOXYCEPHEM COMPOUND AND ITS PRODUCTION EISAI CO LTD 1994-04-05 JP disclosed