SCHEMBL9691876

SCHEMBL9691876

CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)O)c1nc(N)sc1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9691862 1.00 KDM4E (0.30) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL13451827 0.87
SCHEMBL9329556 0.82 KDM4E (0.30) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL15991616 0.82 LCK (0.39)
SCHEMBL9915439 0.82 LCK (0.39)
SCHEMBL9691362 0.81 COPS5 (0.32) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL9691377 0.81 COPS5 (0.32) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL15495220 0.79 KDM4E (0.36) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL965928 0.78 KDM4E (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL10897593 0.78 KDM4E (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1

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-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed