SCHEMBL11697145

SCHEMBL11697145

CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)NCc3ccccc3)CCC[C@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.70
▸ RXRA P19793 1/20 0.70
▸ CCNE1 P24864 1/20 0.70
▸ CDK2 P24941 1/20 0.70
▸ RXRB P28702 1/20 0.70
▸ RXRG P48443 1/20 0.70
▸ CYP3A4 P08684 3/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TDP1 Q9NUW8 6/20 0.65
▸ 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
▸ NR1H2 P55055 1/20 0.58
▸ NR1H3 Q13133 1/20 0.58
▸ PDK1 Q15118 1/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK3 Q15120 1/20 0.57

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
SCHEMBL11697650 0.93 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19283114 0.88 KARS1 (0.74) KARS1RXRACCNE1CDK2RXRB
Dehydroabietic Acid SCHEMBL11697137 0.86 KARS1 (0.69) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856826 0.86 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19293738 0.86 KARS1 (0.66) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19293725 0.86 KARS1 (0.66) KARS1RXRACCNE1CDK2RXRB
SCHEMBL11768691 0.86 KARS1 (0.74) KARS1RXRACCNE1CDK2RXRB
SCHEMBL11479687 0.85 KARS1 (0.73) KARS1RXRACCNE1CDK2RXRB
SCHEMBL11480708 0.84 KARS1 (0.69) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856811 0.84 KARS1 (0.69) 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 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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