Cholesterol

Cholesterol

SCHEMBL28035647

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.82

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Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Cholesterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 1/20 0.65
OSBP P22059 4/20 0.82
RORC P51449 3/20 0.82
OSBP2 Q969R2 2/20 0.82
USP2 O75604 1/20 0.82
LMNA P02545 1/20 0.82
ABCB1 P08183 1/20 0.82
CYP46A1 Q9Y6A2 1/20 0.82
NR1H3 Q13133 7/20 0.71
EPHA2 P29317 1/20 0.71
GRIN1 Q05586 2/20 0.70
GRIN2A Q12879 2/20 0.70
NPC1L1 Q9UHC9 3/20 0.67
CRYAB P02511 1/20 0.67
HMGCR P04035 1/20 0.67
ITGB3 P05106 1/20 0.67
ITGAV P06756 1/20 0.67
SREBF2 Q12772 1/20 0.67
POLA1 P09884 1/20 0.66
GRIN2B Q13224 1/20 0.66

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
Cholesterol SCHEMBL29065777 1.00 OSBP (0.82) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL162526 1.00 OSBP (0.82) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL1296896 0.93 OSBP (0.82) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL29033213 0.93 OSBP (0.82) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL27608874 0.93 OSBP (0.91) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL27668883 0.92 OSBP (0.93) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL1369602 0.92 OSBP (0.93) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL29502101 0.92 OSBP (0.93) OSBPRORCOSBP2USP2LMNA
Cholesterol SCHEMBL27942138 0.92 OSBP (0.96) OSBPRORCOSBP2USP2LMNA
Benzoic Acid SCHEMBL11147682 0.92 OSBP (0.68) OSBPRORCOSBP2USP2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017366-B The ketone group cholesterol biosynthesis method of 25 hydroxyl 7 浙江工业大学 2018-02-27 CN disclosed
CN-104910231-B A kind of synthetic method of 25-hydroxyl-7-DHC 浙江工业大学 2016-08-24 CN disclosed
CN-105017366-A Synthesis method for 25-hydroxy-7-ketocholesterol UNIV ZHEJIANG TECHNOLOGY 2015-11-04 CN disclosed
CN-104910231-A 25-hydroxy-7-dehydrocholesterol synthetic method UNIV ZHEJIANG TECHNOLOGY 2015-09-16 CN disclosed