SCHEMBL4036641

SCHEMBL4036641

NCc1ccccc1NCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NSD2 O96028 1/20 0.51
BLM P54132 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ITGB3 P05106 1/20 0.43

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
SCHEMBL4843159 0.90 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL3211208 0.84 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10POLBKMT2A
Hydrochloric Acid SCHEMBL9554099 0.83 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL27551104 0.82 PARP1 (0.43) ALDH1A1HPGDHSD17B10KDM4ECA1
SCHEMBL4843637 0.82 TSHR (0.44) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL27918676 0.81 MAPT (0.48) ALDH1A1HSD17B10MAPTCA12CA2
Hydrochloric Acid SCHEMBL4844909 0.81 TSHR (0.43) ALDH1A1HPGDHSD17B10POLBMAPT
SCHEMBL28125819 0.81 GRIN2D (0.47) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL3211336 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10POLBKMT2A
SCHEMBL13728016 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10POLBKMT2A

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
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed