SCHEMBL29940774

SCHEMBL29940774

CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
USP2 O75604 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
CRYAB P02511 2/20 0.68
LMNA P02545 1/20 0.68
FNTA P49354 1/20 0.65
FNTB P49356 1/20 0.65
MEN1 O00255 1/20 0.56
PLA2G1B P04054 1/20 0.56
DNMT1 P26358 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
PTGES O14684 4/20 0.54
PREP P48147 1/20 0.52
PIN1 Q13526 1/20 0.52
HMGCR P04035 1/20 0.47
CRYAA P02489 1/20 0.47

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
SCHEMBL26641929 1.00 MAPT (0.68) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL26641924 1.00 MAPT (0.68) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL8995509 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL19270848 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL569375 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL13324285 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL2511101 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
Obtusifoliol SCHEMBL5489603 0.83 PTPN1 (0.50) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL29455082 0.81 MAPT (0.61) MAPTUSP2ALDH1A1CYP3A4ALOX15
Lanosterol SCHEMBL2154745 0.81 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113413415-B Lanosterol eye drops and preparation method thereof 东莞博盛生物科技有限公司 2022-09-27 CN claimed
CN-113413415-B Lanosterol eye drops and preparation method thereof 东莞博盛生物科技有限公司 2022-09-27 CN disclosed