SCHEMBL17030490

SCHEMBL17030490

CC(=O)OCC1O[C@H](NC(=P)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 5/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ OXTR P30559 1/20 0.59
▸ AVPR1A P37288 1/20 0.59
▸ CD81 P60033 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ POLB P06746 1/20 0.52
▸ PTPN1 P18031 3/20 0.51
▸ IKBKB O14920 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ EGLN2 Q96KS0 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL19976658 0.93 F3 (0.60) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976683 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976701 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976659 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976670 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976671 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976702 0.86 F3 (0.72) F3CYP3A4MAPK1OXTRAVPR1A
SCHEMBL19976667 0.86 PTPN1 (0.63) F3SIRT5POLBPTPN1RELA
SCHEMBL19976685 0.86 PTPN1 (0.63) F3SIRT5POLBPTPN1RELA
SCHEMBL19976690 0.86 PTPN1 (0.63) F3SIRT5POLBPTPN1RELA

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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