SCHEMBL9766722

SCHEMBL9766722

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.46
▸ EBP Q15125 5/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CDC25A P30304 5/20 0.39
▸ NPC1L1 Q9UHC9 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FNTA P49354 3/20 0.38
▸ FNTB P49356 3/20 0.38

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
SCHEMBL9766820 1.00 HMGCR (0.46) HMGCREBPCYP2C19HIF1ACDC25A
SCHEMBL9766757 0.86 CDC25A (0.43) EBPCDC25AFNTAFNTB
SCHEMBL9766760 0.86 CDC25A (0.43) EBPCDC25AFNTAFNTB
SCHEMBL9766832 0.84 NPC1L1 (0.44) EBPHIF1ANPC1L1MEN1USP2
SCHEMBL9766747 0.81 HMGCR (0.49) HMGCREBPCYP2C19HIF1ACDC25A
SCHEMBL9766753 0.81 HMGCR (0.49) HMGCREBPCYP2C19HIF1ACDC25A
SCHEMBL9766744 0.73 GPBAR1 (0.53) CYP2C19HIF1ACDC25AMEN1USP2
SCHEMBL9766739 0.73 GPBAR1 (0.53) CYP2C19HIF1ACDC25AMEN1USP2
SCHEMBL28831684 0.69 HMGCR (0.54) HMGCREBPCDC25ANPC1L1MEN1
SCHEMBL9766767 0.68 HMGCR (0.73) HMGCREBPCYP2C19HIF1ACDC25A

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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