SCHEMBL11114629

SCHEMBL11114629

COC(CC(c1ccccc1)c1ccsc1C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
PTPRC P08575 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
DHODH Q02127 1/20 0.34
PPARD Q03181 2/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL28587374 0.80 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL2820229 0.66 AXL (0.46) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL12225720 0.65 AXL (0.44) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL2201666 0.64 ABCC1 (0.44) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL27581548 0.64 AXL (0.43) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL25948661 0.62 AXL (0.42) L3MBTL1ALDH1A1KMT2APTPRCLMNA
SCHEMBL22004403 0.62 ABCC1 (0.42) L3MBTL1KMT2APTPRCLMNANPSR1
SCHEMBL16807891 0.62 TYR (0.44) L3MBTL1ALDH1A1LMNAHPGDPPARG
SCHEMBL30687394 0.62 MAPK8 (0.50) L3MBTL1ALDH1A1KMT2AHPGDMAPK8
Hydrochloric Acid SCHEMBL27792423 0.62 SRR (0.47) L3MBTL1KMT2APPARGPPARAPPARD

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-0118867-A2 Substituted 4,10-dihydro-10-oxothieno benzoxepins, a method of preparing the same and intermediate thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-19 EP disclosed