SCHEMBL11823008

SCHEMBL11823008

CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 6/20 0.52
▸ USP2 O75604 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RORC P51449 1/20 0.51
▸ POLA1 P09884 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ GPBAR1 Q8TDU6 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL967993 0.89 RORC (0.48) NPC1L1USP2TP53LMNAMEN1
SCHEMBL12917608 0.89 RORC (0.48) NPC1L1USP2TP53LMNAMEN1
SCHEMBL12947553 0.89 RORC (0.48) NPC1L1USP2TP53LMNAMEN1
SCHEMBL22646215 0.89 RORC (0.48) NPC1L1USP2TP53LMNAMEN1
SCHEMBL11823290 0.89 RORC (0.48) NPC1L1USP2TP53LMNAMEN1
SCHEMBL13988168 0.86 NPC1L1 (0.70) NPC1L1USP2TP53LMNAMEN1
SCHEMBL14007452 0.86 NPC1L1 (0.70) NPC1L1USP2TP53LMNAMEN1
SCHEMBL131383 0.86 NPC1L1 (0.70) NPC1L1USP2TP53LMNAMEN1
SCHEMBL15107562 0.86 NPC1L1 (0.70) NPC1L1USP2TP53LMNAMEN1
SCHEMBL11755500 0.82 NPC1L1 (0.48) NPC1L1USP2TP53LMNAMEN1

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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