SCHEMBL23635538

SCHEMBL23635538

C=CC(=O)OCC(CCC[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]32)C1)COC(=O)C(=C)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.50
▸ POLA1 P09884 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CD4 P01730 5/20 0.47
▸ CCR1 P32246 2/20 0.47
▸ INPP5D Q92835 1/20 0.47
▸ VDR P11473 4/20 0.44
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL19855641 1.00 CDC25A (0.50) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL21398406 1.00 CDC25A (0.50) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL21398491 0.95 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL23635586 0.95 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL19856331 0.95 CDC25A (0.55) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL21398412 0.92 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL20882249 0.92 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL23635526 0.92 CDC25A (0.52) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL23635568 0.91 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19CD4
SCHEMBL21398597 0.91 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19CD4

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-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
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