SCHEMBL20082366

SCHEMBL20082366

CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)ON)CCCC21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.78
▸ LMNA P02545 1/20 0.78
▸ KARS1 Q15046 4/20 0.77
▸ RXRA P19793 1/20 0.77
▸ CCNE1 P24864 1/20 0.77
▸ CDK2 P24941 1/20 0.77
▸ RXRB P28702 1/20 0.77
▸ RXRG P48443 1/20 0.77
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TSHR P16473 2/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ PDK1 Q15118 1/20 0.62
▸ PDK2 Q15119 1/20 0.62
▸ PDK3 Q15120 1/20 0.62
▸ PDK4 Q16654 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ MAPK1 P28482 2/20 0.61
▸ SOD1 P00441 1/20 0.61

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
Methyl Dehydroabietate SCHEMBL15526779 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
Methyl Dehydroabietate SCHEMBL30128305 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
Methyl Dehydroabietate SCHEMBL2603428 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
Methyl Dehydroabietate SCHEMBL932871 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
Methyl Dehydroabietate SCHEMBL2603432 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
Methyl Dehydroabietate SCHEMBL32671489 0.90 KARS1 (0.78) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL2606230 0.89 KARS1 (0.77) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL2989705 0.88 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL3462324 0.88 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL30383762 0.88 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1

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
EP-2578620-B1 RESIN-ADDITIVE MASTERBATCH ADEKA CORP (JP) 2018-04-25 — — EP disclosed
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