SCHEMBL10696803

SCHEMBL10696803

O=C(O)C1=CCS[C@H]2C(CO)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A2 Q16348 1/20 0.41
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
SPOP O43791 1/20 0.37

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
SCHEMBL9190737 0.88 KDM4E (0.41) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL9198941 0.88 SPOP (0.41) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10436335 0.87 KDM4E (0.40) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10670083 0.87 KDM4E (0.42) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8077885 0.83 NR1I2 (0.42) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10582215 0.83 MAPT (0.40) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8718137 0.81 KDM4E (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL7636710 0.81 NR1I2 (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8882343 0.81 KDM4E (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL11470137 0.80 KDM4E (0.40) KDM4EALDH1A1CYP3A4MAPTAPEX1

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-0256542-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1988-02-24 EP disclosed
EP-0109816-A1 N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed