SCHEMBL11201779

SCHEMBL11201779

CC(=O)Nc1ccc(CCC[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
AOC3 Q16853 1/20 0.50
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL2700913 0.90 AOC3 (0.53) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL11116153 0.86 SMN1; SMN2 (0.59) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL1902060 0.86 SMN1; SMN2 (0.59) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL6949368 0.83 POLB (0.53) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL11196391 0.83 SPHK1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL29622963 0.82 AOC3 (0.67) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL29622962 0.82 AOC3 (0.67) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL2748237 0.81 POLB (0.73) POLBSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL8868366 0.81 POLB (0.54) POLBAOC3TSHRSMN1; SMN2ALDH1A1
SCHEMBL14645643 0.81 CYP4A11 (0.54) POLBAOC3TSHRSMN1; SMN2ALDH1A1

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
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed