SCHEMBL16151454

SCHEMBL16151454

COC(COC(=O)C1(C)CCCC2c3ccc(C(C)C)cc3CCC21)COc1cccc(OCC(COC(=O)C2(C)CCCC3(C)c4ccc(C(C)C)cc4CCC23)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.51
▸ CCNE1 P24864 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SOD1 P00441 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ PDK1 Q15118 1/20 0.42

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
SCHEMBL13454782 0.92 KARS1 (0.59) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16656296 0.84 KARS1 (0.58) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13454783 0.83 KARS1 (0.61) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14653065 0.82 KARS1 (0.54) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14652299 0.82 KARS1 (0.56) KARS1CCNE1CDK2RXRARXRB
SCHEMBL17014614 0.79 KARS1 (0.59) KARS1CCNE1CDK2RXRARXRB
SCHEMBL15249711 0.78 KARS1 (0.54) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14826750 0.78 KARS1 (0.64) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13656177 0.77 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16640719 0.77 KARS1 (0.49) 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-8852839-B2 Polyester for toner, electrostatic-image developing toner, electrostatic-image developer, toner cartridge, process cartridge, image-forming apparatus, and image-forming method FUJI XEROX CO., LTD. (JP) 2014-10-07 — — US disclosed
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