SCHEMBL3260873

SCHEMBL3260873

COc1ccc(C(=O)C=Cc2ccc(OC)c(F)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 2/20 0.78
▸ TUBB1 Q9H4B7 2/20 0.72
▸ CXCL12 P48061 1/20 0.70
▸ ABCG2 Q9UNQ0 3/20 0.69
▸ F3 P13726 2/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ MAPT P10636 4/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ KRAS P01116 1/20 0.65
▸ MCL1 Q07820 1/20 0.64
▸ MAOB P27338 2/20 0.63
▸ XDH P47989 2/20 0.62
▸ P4HB P07237 1/20 0.62
▸ CALM1 P0DP23 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ MAOA P21397 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.62

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
SCHEMBL3260868 1.00 TNFRSF1A (0.78) TNFRSF1ATUBB1CXCL12ABCG2F3
SCHEMBL25185035 0.89 TUBB1 (0.72) TNFRSF1ATUBB1CXCL12ABCG2F3
SCHEMBL3219109 0.87 TNFRSF1A (1.00) TNFRSF1ACXCL12ABCG2F3MEN1
SCHEMBL3219103 0.87 TNFRSF1A (1.00) TNFRSF1ACXCL12ABCG2F3MEN1
SCHEMBL30383145 0.87 LMNA (0.63) TNFRSF1ATUBB1CXCL12ABCG2MEN1
SCHEMBL25191002 0.87 LMNA (0.63) TNFRSF1ATUBB1CXCL12ABCG2MEN1
SCHEMBL3738108 0.86 CXCL12 (0.74) TNFRSF1ATUBB1CXCL12ABCG2MEN1
SCHEMBL3263021 0.85 TNFRSF1A (0.80) TNFRSF1ACXCL12ABCG2F3MEN1
SCHEMBL3263018 0.85 TNFRSF1A (0.80) TNFRSF1ACXCL12ABCG2F3MEN1
SCHEMBL25195682 0.85 CXCL12 (0.80) TNFRSF1ATUBB1CXCL12ABCG2F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 — — WO disclosed
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