SCHEMBL11228756

SCHEMBL11228756

CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3CC312

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ GPBAR1 Q8TDU6 5/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ POLA1 P09884 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ EFNA1 P20827 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ PSEN1 P49768 1/20 0.39

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
SCHEMBL14001699 1.00 NPC1L1 (0.42) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL26669398 0.90 NPC1L1 (0.39) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL22646215 0.89 RORC (0.48) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL12947553 0.89 RORC (0.48) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL12917608 0.89 RORC (0.48) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL967993 0.89 RORC (0.48) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL11823290 0.89 RORC (0.48) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL9827579 0.88 NPC1L1 (0.45) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL9829186 0.87 GPBAR1 (0.47) NPC1L1MEN1LMNAKMT2AUSP2
SCHEMBL26669399 0.87 GPBAR1 (0.47) NPC1L1MEN1LMNAKMT2AUSP2

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-4354972-A Synthesis of steroids KAISER EMIL T 1982-10-19 — — US disclosed
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