SCHEMBL9581900

SCHEMBL9581900

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PPID Q08752 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 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
SCHEMBL9581896 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL7300693 0.89 MAPT (0.48) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL24451168 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL6524085 0.85 MAPT (0.50) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL30040031 0.85 MAPT (0.50) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL6524082 0.85 MAPT (0.50) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL9262217 0.84 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2APTGS2
SCHEMBL9262221 0.84 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2APTGS2
SCHEMBL24158282 0.84 AKT1 (0.47) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL27825976 0.83 TBXAS1 (0.50) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 EP disclosed
US-4698351-A Tetrahydrocarbazole derivatives and pharmaceutical compositions MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1987-10-06 US disclosed
US-4618614-A Method of treating psychosis using tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-21 US disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
US-4547576-A Tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-15 US disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 EP disclosed
EP-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP disclosed