SCHEMBL24176164

SCHEMBL24176164

C=C1CCC(O)C(C)(O)CC[C@@H]2[C@@H]1CC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.56
FTH1 P02794 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CNR2 P34972 2/20 0.51
PPARA Q07869 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.40
PTPN1 P18031 1/20 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
SCHEMBL30808550 1.00 CYP3A4 (0.56) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL24176168 1.00 CYP3A4 (0.56) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL23662802 0.81 CYP3A4 (0.52) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL30808557 0.81 CYP3A4 (0.52) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL30808556 0.81 CYP3A4 (0.52) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL24176161 0.77 CYP3A4 (0.77) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL31690254 0.77 CYP3A4 (0.77) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL11307470 0.77 CYP3A4 (0.77) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL24176295 0.77 CYP3A4 (0.77) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL29978558 0.77 CYP3A4 (0.77) CYP3A4FTH1CYP2C9CYP2C19CNR2

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-20220000157-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2022-01-06 US disclosed