SCHEMBL27693262

SCHEMBL27693262

CCOC(=O)C(C)CN(C(=O)OCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
PIN1 Q13526 1/20 0.43
NPC1 O15118 1/20 0.42
CHRNB2 P17787 1/20 0.40

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
SCHEMBL8089316 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1400828 0.80 ALDH1A1 (0.63) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL9153130 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL29118558 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL28227317 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL510392 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL27596017 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL9711647 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4910826 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1203729 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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-87103693-A Quinoline-3-carboxylic acid derivatives and its preparation and application 1988-03-30 CN disclosed