SCHEMBL11468486

SCHEMBL11468486

COC(=O)C(O)c1sccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.38
GSK3B P49841 1/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 2/20 0.34
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ADRA1D P25100 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3538846 0.84 ALOX5 (0.46) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL7642306 0.79 ALOX5 (0.49) ALOX5SMN1; SMN2PKMGSK3BKMT2A
Hydrochloric Acid SCHEMBL5214794 0.79 ALOX5 (0.46) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL10760527 0.72 ALOX5 (0.36) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL2608970 0.71 ALOX5 (0.47) ALOX5PKMGSK3BATMRAB9A
SCHEMBL2994556 0.70 ALOX5 (0.44) ALOX5SMN1; SMN2HPGDPKMGSK3B
SCHEMBL7550562 0.70 ALOX5 (0.41) ALOX5KDM4ECYP1A2CYP2C19
SCHEMBL3541270 0.69 ALOX5 (0.50) ALOX5SMN1; SMN2PKMGSK3BKMT2A
SCHEMBL9000694 0.69 CES2 (0.56) ALOX5HPGDKMT2AMEN1GAA
SCHEMBL13792082 0.69 ALOX5 (0.43) ALOX5SMN1; SMN2HPGDPKMGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4208423-A Anticholinergic bronchodilators SYNTEX INC. (US) 1980-06-17 US disclosed
EP-0012071-A1 Azoniaspiro derivatives, process for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1980-06-11 EP disclosed