SCHEMBL9616054

SCHEMBL9616054

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CCC4CC(OC(=O)C=Cc5ccccc5)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.68
▸ POLA1 P09884 1/20 0.64
▸ USP2 O75604 1/20 0.57
▸ VDR P11473 1/20 0.57
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ST6GAL1 P15907 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ INPP5D Q92835 1/20 0.53
▸ HPSE Q9Y251 2/20 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
SCHEMBL2880675 0.88 CDC25A (0.56) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL16425695 0.88 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL17123258 0.88 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL2878393 0.87 CDC25A (0.55) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL23397907 0.87 CDC25A (0.57) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL6742968 0.86 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL6742962 0.86 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL10298005 0.86 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL30495402 0.84 CDC25A (0.72) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL10863664 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4183773-A — — None — — JP disclosed
JP-H04183773-A STEROL CINNAMATE-TYPE ULTRAVIOLET-SHIELDING AGENT YOSHIKAWA SEIYU KK 1992-06-30 — — JP disclosed
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