SCHEMBL27734669

SCHEMBL27734669

C[CH]CC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 4/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.43
FKBP1A P62942 3/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3582413 0.81 L3MBTL1 (0.55) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27978837 0.80 ATM (0.50) L3MBTL1SMN1; SMN2ALDH1A1HTTGAA
SCHEMBL3163805 0.80 LMNA (0.53) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL1081817 0.79 L3MBTL1 (0.53) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL12549368 0.79 L3MBTL1 (0.53) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL6050178 0.78 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2ALDH1A1HTTGAA
SCHEMBL27755282 0.78 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL3170098 0.77 GLA (0.58) L3MBTL1TSHRPOLBLMNAGLA
SCHEMBL3988863 0.76 L3MBTL1 (0.50) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL19621307 0.76 L3MBTL1 (0.46) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2

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
CN-101389331-A Amino acid derivatives of indolinone based protein kinase inhibitors SCRIPPS RESEARCH INST (US) 2009-03-18 CN disclosed