SCHEMBL28865761

SCHEMBL28865761

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)Nc3cc(Nc4ccccc4)ncn3)CCC[C@]21C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.61
▸ CCNE1 P24864 3/20 0.61
▸ CDK2 P24941 3/20 0.61
▸ RXRA P19793 1/20 0.61
▸ RXRB P28702 1/20 0.61
▸ RXRG P48443 1/20 0.61
▸ TDP1 Q9NUW8 7/20 0.60
▸ CYP3A4 P08684 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL28865736 0.92 CCNE1 (0.57) KARS1CCNE1CDK2RXRARXRB
SCHEMBL28865731 0.92 TDP1 (0.61) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11768691 0.87 KARS1 (0.74) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11479687 0.79 KARS1 (0.73) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11696149 0.79 TDP1 (0.75) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11695232 0.79 KARS1 (0.68) KARS1CCNE1CDK2RXRARXRB
SCHEMBL29437389 0.78 KARS1 (0.63) KARS1CCNE1CDK2RXRARXRB
SCHEMBL2675571 0.78 CYP3A4 (0.78) KARS1CCNE1CDK2RXRARXRB
SCHEMBL11697145 0.78 KARS1 (0.70) KARS1CCNE1CDK2RXRARXRB
Dehydroabietic Acid SCHEMBL2603437 0.78 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
CN-115073361-A Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2022-09-20 — — CN disclosed
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