SCHEMBL17019785

SCHEMBL17019785

COC(COCC(C)(C)COCC(COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12)OC(C)(C)C)COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.55
▸ CCNE1 P24864 3/20 0.55
▸ CDK2 P24941 3/20 0.55
▸ RXRA P19793 1/20 0.55
▸ RXRB P28702 1/20 0.55
▸ RXRG P48443 1/20 0.55
▸ CYP3A4 P08684 4/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SOD1 P00441 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL17014614 0.96 KARS1 (0.59) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13454817 0.87 KARS1 (0.61) KARS1CCNE1CDK2RXRARXRB
SCHEMBL14652299 0.83 KARS1 (0.56) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13454782 0.82 KARS1 (0.59) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13659996 0.81 KARS1 (0.68) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13656183 0.81 KARS1 (0.68) KARS1CCNE1CDK2RXRARXRB
SCHEMBL13656177 0.80 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20061638 0.80 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20067223 0.80 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20055021 0.80 KARS1 (0.71) 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-20150234305-A1 POLYESTER RESIN FOR TONER, TONER FOR ELECTROSTATIC CHARGE IMAGE DEVELOPMENT, AND TONER CARTRIDGE FUJI XEROX CO., LTD. (JP) 2015-08-20 — — US disclosed
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