SCHEMBL9766753

SCHEMBL9766753

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC(=O)O)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.49
▸ CDC25A P30304 5/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ EBP Q15125 2/20 0.43
▸ CDC25B P30305 2/20 0.42
▸ NPC1L1 Q9UHC9 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACLY P53396 2/20 0.41
▸ ACACA Q13085 2/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ HSD11B2 P80365 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL9766747 1.00 HMGCR (0.49) HMGCRCDC25ACYP2C19HIF1AEBP
SCHEMBL28831684 0.85 HMGCR (0.54) HMGCRCDC25AEBPCDC25BNPC1L1
SCHEMBL9766739 0.83 GPBAR1 (0.53) CDC25ACYP2C19HIF1AMEN1USP2
SCHEMBL9766744 0.83 GPBAR1 (0.53) CDC25ACYP2C19HIF1AMEN1USP2
SCHEMBL9766820 0.81 HMGCR (0.46) HMGCRCDC25ACYP2C19HIF1AEBP
SCHEMBL9766722 0.81 HMGCR (0.46) HMGCRCDC25ACYP2C19HIF1AEBP
SCHEMBL6687443 0.75 CYP2D6 (0.59) CDC25ACYP2C19CDC25BNPC1L1MEN1
SCHEMBL27568855 0.75 CYP2D6 (0.59) CDC25ACYP2C19CDC25BNPC1L1MEN1
SCHEMBL14116734 0.74 CDC25A (0.54) CDC25AEBPCDC25BNPC1L1MEN1
SCHEMBL14034589 0.74 CDC25A (0.54) CDC25AEBPCDC25BNPC1L1MEN1

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-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US disclosed
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