SCHEMBL11768691

SCHEMBL11768691

CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)Nc3ccccc3)CCC[C@]21C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.74
▸ CCNE1 P24864 2/20 0.74
▸ CDK2 P24941 2/20 0.74
▸ RXRA P19793 1/20 0.74
▸ RXRB P28702 1/20 0.74
▸ RXRG P48443 1/20 0.74
▸ TDP1 Q9NUW8 6/20 0.74
▸ CYP3A4 P08684 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ PDK1 Q15118 1/20 0.58
▸ PDK2 Q15119 1/20 0.58
▸ PDK3 Q15120 1/20 0.58
▸ PDK4 Q16654 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58

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
SCHEMBL11696149 0.90 TDP1 (0.75) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11479687 0.87 KARS1 (0.73) KARS1CCNE1CDK2RXRARXRB
SCHEMBL28865761 0.87 KARS1 (0.61) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11695232 0.87 KARS1 (0.68) KARS1CCNE1CDK2RXRARXRB
SCHEMBL2675571 0.86 CYP3A4 (0.78) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11697145 0.86 KARS1 (0.70) KARS1CCNE1CDK2RXRARXRB
Dehydroabietic Acid SCHEMBL2603437 0.85 KARS1 (1.00) KARS1CCNE1CDK2RXRARXRB
Dehydroabietic Acid SCHEMBL15744753 0.85 KARS1 (1.00) KARS1CCNE1CDK2RXRARXRB
Dehydroabietic Acid SCHEMBL19798161 0.85 KARS1 (1.00) KARS1CCNE1CDK2RXRARXRB
Dehydroabietic Acid SCHEMBL15313390 0.85 KARS1 (1.00) KARS1CCNE1CDK2RXRARXRB

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-4009206-A CHOLESTEROL LOWERING AGENTS MURAI HIROMU 1977-02-22 — — US disclosed
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