SCHEMBL29553306

SCHEMBL29553306

CC(C)c1cc2c(cc1O)C1(C)CCC(=O)C(C)(C)C1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.64
▸ NR1I2 O75469 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ POLA1 P09884 6/20 0.42
▸ ABHD16A O95870 2/20 0.41
▸ FDPS P14324 3/20 0.41
▸ GGPS1 O95749 1/20 0.40
▸ BCL9 O00512 3/20 0.40
▸ CTNNB1 P35222 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RXRA P19793 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PTGES O14684 1/20 0.40

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
Ferruginol SCHEMBL5315022 0.80 KARS1 (0.73) KARS1NR1I2OPRK1POLA1FDPS
Ferruginol SCHEMBL13423521 0.80 KARS1 (0.73) KARS1NR1I2OPRK1POLA1FDPS
Ferruginol SCHEMBL155580 0.80 KARS1 (0.73) KARS1NR1I2OPRK1POLA1FDPS
Hinokiol SCHEMBL18290363 0.80 KARS1 (0.63) KARS1NR1I2OPRK1POLA1FDPS
Hinokiol SCHEMBL854936 0.80 KARS1 (0.63) KARS1NR1I2OPRK1POLA1FDPS
SCHEMBL30712349 0.80 SOD1 (0.49) KARS1FDPSGGPS1ALDH1A1CYP3A4
Lambertic Acid SCHEMBL31674429 0.78 NR1I2 (0.74) KARS1NR1I2OPRK1POLA1ABHD16A
18-Hydroxyferruginol SCHEMBL32666150 0.76 KARS1 (0.67) KARS1NR1I2OPRK1POLA1FDPS
18-Hydroxyferruginol SCHEMBL18290210 0.76 KARS1 (0.67) KARS1NR1I2OPRK1POLA1FDPS
SCHEMBL29552479 0.76 CYP3A4 (0.56) KARS1FDPSGGPS1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120153052-A Perfume composition, cosmetic, and module component for perfume composition 株式会社资生堂 2025-06-13 — — CN disclosed
CN-112933120-B Application of kauri pine extract in preparing product for resisting non-alcoholic fatty liver disease 北京大学 2022-06-28 — — CN disclosed
CN-113648337-B Application of tripterine in preparation of medicine for inhibiting replication of Marek's disease virus 吉林大学 2022-04-29 — — CN disclosed
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