SCHEMBL9328003

SCHEMBL9328003

COC(=O)C(O)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC1 Q13547 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL5179018 0.83 ALDH1A1 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10762809 0.82 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28905896 0.82 HDAC1 (0.46) KDM4EHDAC1SLC6A2SLC6A4SLC6A3
SCHEMBL5542458 0.81 HPGD (0.48) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8167057 0.80 ALOX5 (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5129994 0.80 ALOX5 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8167055 0.79 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5509552 0.79 ALOX5 (0.49) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14416057 0.79 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11454942 0.77 ALOX5 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
EP-0424021-B1 Antimuscarinic bronchodilators PFIZER LTD (GB) 1994-03-02 EP disclosed
US-5171744-A Antimuscarinic bronchodilators PFIZER INC. (US) 1992-12-15 US disclosed
EP-0424021-A1 Antimuscarinic bronchodilators Pfizer Limited (GB) 1991-04-24 EP disclosed
EP-0232258-B1 HERBICIDAL 2-(OXA OR THIA HETEROCYCLE)5-AMINO-3-OXO-4-(SUBSTITUTED-PHENYL)-2,3-DIHYDROFURANS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1990-05-02 EP disclosed
EP-0232258-A4 HERBICIDAL 2-(OXA OR THIA HETEROCYCLE)5-AMINO-3-OXO-4-(SUBSTITUTED-PHENYL)-2,3-DIHYDROFURANS. CHEVRON RES (US) 1987-12-01 EP disclosed
EP-0232258-A1 HERBICIDAL 2-(OXA OR THIA HETEROCYCLE)5-AMINO-3-OXO-4-(SUBSTITUTED-PHENYL)-2,3-DIHYDROFURANS. CHEVRON RES (US) 1987-08-19 EP disclosed
WO-1987000729-A1 HERBICIDAL 2-(OXA OR THIA HETEROCYCLE)5-AMINO-3-OXO-4-(SUBSTITUTED-PHENYL)-2,3-DIHYDROFURANS CHEVRON RESEARCH COMPANY (US) 1987-02-12 WO disclosed
US-4537623-A Herbicidal 2-(oxa or thia heterocycle)5-amino-3-oxo-4-(substituted-phenyl)-2,3-dihydrofurans CHEVRON RESEARCH COMPANY (US) 1985-08-27 US disclosed