SCHEMBL17030502

SCHEMBL17030502

C[C@H]1CCC[C@]2(C(=O)N[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 2/20 0.58
▸ EGLN1 Q9GZT9 2/20 0.58
▸ EGLN3 Q9H6Z9 2/20 0.58
▸ P4HTM Q9NXG6 2/20 0.58
▸ F3 P13726 2/20 0.57
▸ SENP1 Q9P0U3 3/20 0.55
▸ PTPN1 P18031 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ AKR1B10 O60218 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CTSD P07339 1/20 0.55
▸ PTPRF P10586 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ CETP P11597 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ PTPN2 P17706 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ ACP1 P24666 1/20 0.55
▸ HSD11B1 P28845 1/20 0.55

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
SCHEMBL19976687 0.92 EGLN2 (0.70) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL17133036 0.92 EGLN2 (0.70) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL17133035 0.92 EGLN2 (0.70) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL19976698 0.92 EGLN2 (0.70) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL19976668 0.86 F3 (0.73) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL17133043 0.86 F3 (0.73) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL19976677 0.86 F3 (0.73) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL17030493 0.86 F3 (0.73) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL12841854 0.81 PTPN1 (0.81) EGLN2EGLN1EGLN3P4HTMF3
SCHEMBL14628104 0.81 PTPN1 (0.81) EGLN2EGLN1EGLN3P4HTMF3

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
EP-2910563-A1 TRITERPENE DERIVATIVE AND ITS ANTI-INFLUENZA USE Peking University (CN) 2015-08-26 — — EP disclosed
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