SCHEMBL11044054

SCHEMBL11044054

C[CH]C(=O)c1cccc(OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX12 P18054 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
HTT P42858 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51

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
SCHEMBL8780311 0.87 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL11520997 0.83 HPGD (0.50) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL5139133 0.82 HPGD (0.68) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL9448786 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL307233 0.81 KMT2A (0.75) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL29505934 0.81 KMT2A (0.75) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL29505938 0.81 KMT2A (0.75) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL1333545 0.81 KMT2A (0.75) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL11044043 0.81 HPGD (0.51) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL5823575 0.80 MAPT (0.66) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed