SCHEMBL7859593

SCHEMBL7859593

[CH](COCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALOX5 P09917 1/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.42
AGXT P21549 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TACR1 P25103 2/20 0.39
LCK P06239 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
TK1 P04183 1/20 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
SCHEMBL7523522 0.84 TDP1 (0.51) TSHRMAOBALOX5IDO1AGXT
SCHEMBL1524411 0.79 TSHR (0.67) TSHRMAOBALOX5IDO1AGXT
SCHEMBL1524101 0.79 TSHR (0.67) TSHRMAOBALOX5IDO1AGXT
SCHEMBL1524098 0.79 TSHR (0.67) TSHRMAOBALOX5IDO1AGXT
SCHEMBL6941005 0.79 TSHR (0.67) TSHRALOX5IDO1AGXTCA1
SCHEMBL4574153 0.79 TSHR (0.67) TSHRALOX5IDO1AGXTCA1
SCHEMBL1157829 0.79 ALOX5 (0.60) TSHRALOX5IDO1LMNA
SCHEMBL1157826 0.79 ALOX5 (0.60) TSHRALOX5IDO1LMNA
Ammonia Solution, Strong SCHEMBL7095980 0.77 TSHR (0.64) TSHRMAOBALOX5IDO1AGXT
SCHEMBL223907 0.76 TSHR (0.78) TSHRIDO1LMNAAGXTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP claimed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP claimed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO claimed
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
EP-0096293-A1 N-acetylglucosamine derivatives, process for their preparation and their use to combat malaria BEHRINGWERKE Aktiengesellschaft (DE) 1983-12-21 EP disclosed