SCHEMBL6937210

SCHEMBL6937210

CC1(C)CC(=O)c2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PBRM1 Q86U86 1/20 0.47
PGR P06401 4/20 0.44
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
AKT1 P31749 1/20 0.42
MAOA P21397 1/20 0.41
UGT1A1 P22309 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NR3C1 P04150 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL388355 0.85 PGR (0.55) MAPTALDH1A1KDM4EPBRM1PGR
SCHEMBL8662092 0.82 PBRM1 (0.53) MAPTALDH1A1KDM4EPBRM1ESR1
SCHEMBL31650524 0.82 PBRM1 (0.53) MAPTALDH1A1KDM4EPBRM1ESR1
SCHEMBL484599 0.81 PDE4B (0.46) PBRM1PGRCA1CA2CA7
SCHEMBL568994 0.79 PGR (0.55) ALDH1A1KDM4EPGRMAOAMAOB
SCHEMBL6562466 0.78 PGR (0.44) MAPTALDH1A1PGRCA9LMNA
SCHEMBL30353273 0.78 PGR (0.44) MAPTALDH1A1PGRCA9LMNA
SCHEMBL7565951 0.78 PGR (0.44) ALDH1A1PGRCA1CA2CA7
SCHEMBL13189991 0.78 PGR (0.44) MAPTALDH1A1KDM4EPGRESR1
SCHEMBL26650123 0.78 PGR (0.56) PGRMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915087-B1 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-04-02 EP disclosed
US-6015822-A ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-01-18 US disclosed
EP-0915087-A2 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-12 EP disclosed
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed