SCHEMBL28201089

SCHEMBL28201089

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nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 1/20 0.38
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
CXCL10 P02778 1/20 0.33
CXCL8 P10145 1/20 0.33
CCL2 P13500 1/20 0.33
CCL5 P13501 1/20 0.33
CXCL12 P48061 1/20 0.33
FGF1 P05230 1/20 0.33
SLC2A1 P11166 1/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL2186684 1.00 LGALS3 (0.38) LGALS3CA2CA12CA1CA9
SCHEMBL3914085 1.00 LGALS3 (0.38) LGALS3CA2CA12CA1CA9
SCHEMBL870879 1.00 LGALS3 (0.38) LGALS3CA2CA12CA1CA9
SCHEMBL7646025 0.89 LGALS8 (0.44) LGALS3CA2CA12CA1CA9
SCHEMBL25241935 0.88 CA2 (0.47) LGALS3CA2CA12CA1CA9
SCHEMBL3653142 0.87 CA2 (0.40) LGALS3CA2CA12CA1CA9
SCHEMBL1116556 0.87 CA2 (0.40) LGALS3CA2CA12CA1CA9
SCHEMBL22121795 0.87 CA2 (0.40) LGALS3CA2CA12CA1CA9
SCHEMBL8003273 0.87 CA2 (0.40) LGALS3CA2CA12CA1CA9
SCHEMBL1116554 0.87 CA2 (0.40) LGALS3CA2CA12CA1CA9

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
CN-107735404-A Multivalent ligand-lipid constructs 尼古拉·弗拉基米罗维奇·鲍文 2018-02-23 CN disclosed