SCHEMBL9712261

SCHEMBL9712261

CC(N)(CC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HTR2C P28335 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDC25B P30305 1/20 0.36
GLA P06280 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL11042794 0.81 CCNE1 (0.41) ALDH1A1L3MBTL1CCNE1CDK2GSK3B
SCHEMBL27942905 0.78 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1MAPK1CCNE1CDK2
SCHEMBL9717388 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL875061 0.77 CCNE1 (0.40) ALDH1A1MAPK1CCNE1CDK2GSK3B
SCHEMBL10617309 0.77 MEN1 (0.48) ALDH1A1CCNE1CDK2GSK3BNPC1
SCHEMBL23191944 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1CCNE1CDK2
SCHEMBL15450611 0.77 NOTUM (0.52) ALDH1A1L3MBTL1MAPK1NPC1RAB9A
SCHEMBL19730317 0.77 MEN1 (0.46) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL27904416 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL11563416 0.76 MEN1 (0.50) ALDH1A1CCNE1CDK2GSK3BNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019274-A1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT MEDICAL, INC. (US) 1992-11-12 WO disclosed