SCHEMBL11755500

SCHEMBL11755500

CC(C)/C=C/C[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 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 8/20 0.48
▸ USP2 O75604 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLA1 P09884 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ GPBAR1 Q8TDU6 6/20 0.39
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 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
SCHEMBL11823008 0.82 NPC1L1 (0.52) NPC1L1USP2TP53MEN1LMNA
SCHEMBL13988168 0.82 NPC1L1 (0.70) NPC1L1USP2TP53MEN1LMNA
SCHEMBL15107562 0.82 NPC1L1 (0.70) NPC1L1USP2TP53MEN1LMNA
SCHEMBL14007452 0.82 NPC1L1 (0.70) NPC1L1USP2TP53MEN1LMNA
SCHEMBL131383 0.82 NPC1L1 (0.70) NPC1L1USP2TP53MEN1LMNA
SCHEMBL14005008 0.80 NPC1L1 (0.45) NPC1L1USP2TP53MEN1LMNA
SCHEMBL10821098 0.80 NPC1L1 (0.43) NPC1L1USP2TP53MEN1LMNA
SCHEMBL10821097 0.80 NPC1L1 (0.43) NPC1L1USP2TP53MEN1LMNA
SCHEMBL15694753 0.78 NPC1L1 (0.56) NPC1L1USP2TP53MEN1LMNA
SCHEMBL11125990 0.78 NPC1L1 (0.56) NPC1L1USP2TP53MEN1LMNA

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-4038272-A STEREOSPECIFIC SYNTHESES OF 24R,25- AND 24S,25-DIHYDROXYCHOLESTEROL AND ALKANOYL DERIVATIVES THEREOF HOFFMANN-LA ROCHE INC. (US) 1977-07-26 — — US disclosed
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