SCHEMBL11079865

SCHEMBL11079865

CC1CC(C)CN(CC(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL765358 0.91
SCHEMBL12226437 0.82 KDM4E (0.51) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL11080389 0.81 HSD17B10 (0.41) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL21675650 0.78 HSD17B10 (0.45) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL2557014 0.78 L3MBTL1 (0.42) KDM4ERAB9ALMNAALDH1A1POLB
SCHEMBL11084180 0.77 KDM4E (0.47) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL14671158 0.76 HSD17B10 (0.41) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8406208 0.76 POLB (0.49) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL7289985 0.76 POLB (0.49) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL15447586 0.76 POLB (0.49) KDM4ERAB9ALMNAALDH1A1MEN1

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
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US claimed
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US disclosed