Totarol

Totarol

SCHEMBL31121504

CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
MAPT P10636 4/20 1.00
USP2 O75604 4/20 1.00
TP53 P04637 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPK1 P28482 2/20 1.00
HSP90AA1 P07900 1/20 1.00
KDM4E B2RXH2 1/20 1.00
HPGD P15428 1/20 0.74
ALOX15 P16050 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.69
PIP5K1A Q99755 4/20 0.50
CYP19A1 P11511 1/20 0.50
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
CSNK2A3 Q8NEV1 2/20 0.48
CETP P11597 3/20 0.45
KARS1 Q15046 2/20 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
Totarol SCHEMBL1839596 1.00 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
Totarol SCHEMBL13423504 1.00 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
Totarol SCHEMBL285501 1.00 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
Totarol SCHEMBL30105648 1.00 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
Totarol SCHEMBL16238019 1.00 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
19-Hydroxytotarol SCHEMBL12998342 0.85 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
19-Hydroxytotarol SCHEMBL13423507 0.85 CYP3A4 (1.00) CYP3A4MAPTUSP2TP53MEN1
Totarol SCHEMBL31287563 0.85 CYP3A4 (0.74) CYP3A4MAPTUSP2TP53MEN1
SCHEMBL5522477 0.84 CYP3A4 (0.78) CYP3A4MAPTUSP2TP53MEN1
SCHEMBL20970940 0.84 USP2 (0.82) CYP3A4MAPTUSP2TP53MEN1

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
CN-118490545-A A composition containing fructus Persicae and its application in skin care product 海南中和美业科技有限公司 2024-08-16 CN disclosed