SCHEMBL5200268

SCHEMBL5200268

COc1ccc(C(CC(=O)O)Nc2cccc(-c3ccccc3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CTSA P10619 1/20 0.50
▸ ITGB3 P05106 10/20 0.49
▸ ITGAV P06756 9/20 0.49
▸ TNF P01375 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ ITGA2B P08514 1/20 0.46

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
SCHEMBL5199829 0.86 ADORA3 (0.55) POLBSMN1; SMN2CTSAITGB3ITGAV
SCHEMBL5202002 0.82 CTSA (0.46) CTSAITGB3ITGAV
SCHEMBL4889119 0.77 POLB (0.63) POLBSMN1; SMN2ITGB3TNFKMT2A
SCHEMBL4875725 0.77 POLB (0.63) POLBSMN1; SMN2ITGB3TNFKMT2A
SCHEMBL4875740 0.77 POLB (0.63) POLBSMN1; SMN2ITGB3TNFKMT2A
SCHEMBL4889020 0.76 POLB (0.62) POLBSMN1; SMN2TNFKMT2A
SCHEMBL4889095 0.76 POLB (0.62) POLBSMN1; SMN2TNFKMT2A
SCHEMBL4889036 0.76 POLB (0.62) POLBSMN1; SMN2TNFKMT2A
SCHEMBL29157116 0.76 FFAR1 (0.49) POLBSMN1; SMN2CTSAKMT2AFFAR1
SCHEMBL2674709 0.75 FPR2 (0.57) SMN1; SMN2ITGB3ITGAVKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576179-A4 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2007-06-06 — — EP disclosed
EP-1576179-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2005-09-21 — — EP disclosed
WO-2004050895-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2004-06-17 — — WO disclosed
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