Sugi Predict

Sugi Predict / Compounds / SCHEMBL8902786

SCHEMBL8902786

SCHEMBL8902786

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OC(=O)CCC(=O)O[C@H]5CC[C@@]6(C)C(CC[C@H]7[C@@H]8CC[C@H]([C@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]76)C5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.76
▸ POLA1 P09884 1/20 0.75
▸ USP2 O75604 1/20 0.68
▸ VDR P11473 1/20 0.68
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ INPP5D Q92835 1/20 0.64
▸ ST6GAL1 P15907 1/20 0.63
▸ FOLH1 Q04609 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
SCHEMBL17124650 0.96 CDC25A (0.75) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL8903469 0.96 CDC25A (0.75) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL8902780 0.96 CDC25A (0.75) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL12947922 0.96 CDC25A (0.71) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL8902782 0.96 CDC25A (0.75) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL12919634 0.95 CDC25A (0.70) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL27617837 0.95 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4738056 0.95 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL448197 0.95 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL4735037 0.95 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 — — US claimed
US-5610180-A TOCOPHEROL AND CHOLESTEROL DERIVATIVES, CYTOPROTECTIVE AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-03-11 — — US disclosed
US-5610180-A TOCOPHEROL AND CHOLESTEROL DERIVATIVES, CYTOPROTECTIVE AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-03-11 — — US disclosed
US-5336485-A Administering cholestane phthalates, succinates or sulfates before administering tacrine CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-08-09 — — US disclosed
US-5336485-A Administering cholestane phthalates, succinates or sulfates before administering tacrine CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-08-09 — — US disclosed
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 — — US disclosed
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 — — US disclosed
Send feedback