SCHEMBL11823290

SCHEMBL11823290

CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.48
▸ NPC1L1 Q9UHC9 6/20 0.45
▸ TP53 P04637 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPBAR1 Q8TDU6 5/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ VDR P11473 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ POLA1 P09884 1/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ TOP2B Q02880 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ BLM P54132 2/20 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
SCHEMBL12947553 1.00 RORC (0.48) RORCNPC1L1TP53USP2MEN1
SCHEMBL12917608 1.00 RORC (0.48) RORCNPC1L1TP53USP2MEN1
SCHEMBL22646215 1.00 RORC (0.48) RORCNPC1L1TP53USP2MEN1
SCHEMBL967993 1.00 RORC (0.48) RORCNPC1L1TP53USP2MEN1
SCHEMBL14001699 0.89 NPC1L1 (0.42) NPC1L1TP53USP2MEN1LMNA
SCHEMBL11228756 0.89 NPC1L1 (0.42) NPC1L1TP53USP2MEN1LMNA
SCHEMBL11823008 0.89 NPC1L1 (0.52) RORCNPC1L1TP53USP2MEN1
SCHEMBL9829186 0.88 GPBAR1 (0.47) NPC1L1TP53USP2MEN1LMNA
SCHEMBL26669399 0.88 GPBAR1 (0.47) NPC1L1TP53USP2MEN1LMNA
SCHEMBL9827579 0.86 NPC1L1 (0.45) NPC1L1TP53USP2MEN1LMNA

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-3994878-A Syntheses of 24R,25- and 24S,25-dihydroxycholesterol and alkanoyl derivatives thereof HOFFMANN-LA ROCHE INC. (US) 1976-11-30 — — US disclosed
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