SCHEMBL5708478

SCHEMBL5708478

COc1ccc2c(c1)Cc1c-2[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.69
CA2 P00918 5/20 0.69
CA4 P22748 5/20 0.69
CA6 P23280 5/20 0.69
MDH2 P40926 1/20 0.55
CCNB2 O95067 2/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
GSK3B P49841 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
MAPKAPK2 P49137 1/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL5708473 0.90 CA1 (0.55) CA1CA2CA4CA6MDH2
SCHEMBL5708518 0.84 MAOA (0.51) CA1CA2CA4CA6MAPKAPK2
SCHEMBL8946305 0.81 CA1 (0.73) CA1CA2CA4CA6MDH2
SCHEMBL4147028 0.77 TLR9 (0.49) MAOBMAOATRPM8CTSVCTSL
SCHEMBL31053079 0.76 CTSV (0.49) MAOBMAOATRPM8CTSVCTSL
SCHEMBL22628563 0.76 CTSV (0.49) MAOBMAOATRPM8CTSVCTSL
SCHEMBL9527027 0.76 CA1 (0.58) CA1CA2CA4CA6MDH2
SCHEMBL6743988 0.75 CTSV (0.64) MAOBMAOATRPM8CTSVCTSL
SCHEMBL7132711 0.75 MAPK10 (0.64) CA1CA2CA4CA6CCNB2
SCHEMBL2300747 0.75 CA1 (1.00) CA1CA2CA4CA6CCNB2

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
EP-1082319-B1 BENZOCARBAZOLE AND INDENOINDOLE DERIVED ESTROGENIC AGENTS WYETH CORP (US) 2006-09-13 EP disclosed
US-6159959-A Combined estrogen and antiestrogen therapy AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-12 US disclosed
US-6107292-A HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-22 US disclosed
US-6069153-A HORMONE REPLACEMENT THERPAY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-30 US disclosed