SCHEMBL29553155

SCHEMBL29553155

CC1=C(C(=O)O)CC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.58
▸ RXRA P19793 1/20 0.58
▸ CCNE1 P24864 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ RXRB P28702 1/20 0.58
▸ RXRG P48443 1/20 0.58
▸ CYP3A4 P08684 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TDP1 Q9NUW8 5/20 0.48
▸ TSHR P16473 2/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48

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
SCHEMBL29552613 0.78 NR1I2 (0.41) KARS1RXRACCNE1CDK2RXRB
SCHEMBL28730781 0.76 CYP3A4 (0.58) KARS1RXRACCNE1CDK2RXRB
SCHEMBL29553299 0.74 CYP3A4 (0.43) KARS1RXRACCNE1CDK2RXRB
SCHEMBL29552419 0.74 CYP3A4 (0.43) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL14653170 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL15313390 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL222079 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL2603437 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL20061641 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL19798161 0.74 KARS1 (1.00) KARS1RXRACCNE1CDK2RXRB

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-114480312-B Abietane type tricyclic diterpenoid C-14 hydroxylase 首都医科大学附属北京世纪坛医院 2024-04-16 — — CN disclosed
CN-114480312-A C-14 hydroxylase of abietane type tricyclic diterpenoid compound 首都医科大学附属北京世纪坛医院 2022-05-13 — — 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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