SCHEMBL7774235

SCHEMBL7774235

O=c1cc(S)sc2cc(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 3/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CA2 P00918 2/20 0.41
ALPI P09923 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
MIF P14174 1/20 0.40
CYP3A4 P08684 2/20 0.37
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 3/20 0.37
FTO Q9C0B1 2/20 0.37

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
SCHEMBL9016538 0.78 ALDH1A1 (0.44) ALDH1A1MAPTHTTMIFKDM4E
SCHEMBL7774411 0.77 PARP1 (0.36) ALDH1A1ALOX15CA2MIFPARP1
SCHEMBL7777304 0.75 ALDH1A1 (0.60) ALDH1A1ALOX15HPGDMAOAMAOB
SCHEMBL15003270 0.74 MAOA (0.49) ALDH1A1HPGDMAOAMAOBCA2
SCHEMBL7769678 0.74 MAPK1 (0.50) ALDH1A1ALOX15HPGDMAOBMAPT
SCHEMBL7774394 0.74 MAPT (0.43) MAPTMIFCYP3A4PARP1CYP2C9
SCHEMBL7774088 0.74 ALDH1A1 (0.39) ALDH1A1ALOX15HPGDMAOAMAOB
SCHEMBL29980342 0.73 HTT (0.44) ALDH1A1ALOX15HPGDMAOAMAOB
SCHEMBL3874783 0.73 HTT (0.44) ALDH1A1ALOX15HPGDMAOAMAOB
SCHEMBL10369249 0.72 ESR1 (0.55) ALOX15CA2HTTCYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294527-B1 ANTIBIOTICS FOR METHACILLIN RESISTANT BACTERIA ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0949262-B1 CEPHEM COMPOUNDS ZENYAKU KOGYO KK (JP) 2001-08-22 EP disclosed
EP-1090920-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-04-11 EP disclosed
EP-0949262-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-10-13 EP disclosed