SCHEMBL17583221

SCHEMBL17583221

CC(=CC1CCCC2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)[C@@]12C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.54
▸ POLA1 P09884 1/20 0.54
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ EPHA2 P29317 2/20 0.52
▸ AKR1B10 O60218 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ EFNA1 P20827 1/20 0.52
▸ PSEN1 P49768 1/20 0.52
▸ PSEN2 P49810 1/20 0.52
▸ APH1B Q8WW43 1/20 0.52
▸ NCSTN Q92542 1/20 0.52
▸ APH1A Q96BI3 1/20 0.52
▸ PSENEN Q9NZ42 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL27556518 0.88 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL6557010 0.83 CDC25A (0.64) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL28153642 0.82 FNTA (0.60) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL29275434 0.81 CYP2D6 (0.60) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL9224303 0.81 CYP2D6 (0.65) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL28408 0.81 CYP2D6 (0.65) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL3447573 0.81 CYP2D6 (0.65) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL133952 0.81 CYP2D6 (0.65) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL4740626 0.81 CDC25A (0.57) CDC25APOLA1CYP2D6CYP2C19GPBAR1
SCHEMBL27525051 0.81 CDC25A (0.59) CDC25APOLA1CYP2D6CYP2C19GPBAR1

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
US-20160079007-A1 BINDER COMPOSITION FOR POWER STORAGE DEVICES JSR CORPORATION (JP) 2016-03-17 — — US disclosed
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