SCHEMBL16640720

SCHEMBL16640720

CC(C)c1ccc2c(c1)CCC1CC(C(=O)OCC(COC(=O)C3(C)CCC4(C)c5ccc(C(C)C)cc5CCC4C3)(COC(=O)C3(C)CCCC4(C)c5ccc(C(C)C)cc5CCC34)COC(=O)C3(C)CCCC4(C)c5ccc(C(C)C)cc5CCC34)CCC21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.52
▸ CCNE1 P24864 4/20 0.52
▸ CDK2 P24941 4/20 0.52
▸ RXRA P19793 1/20 0.52
▸ RXRB P28702 1/20 0.52
▸ RXRG P48443 1/20 0.52
▸ CYP3A4 P08684 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SOD1 P00441 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL20175324 0.90 CCNE1 (0.46) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16640736 0.90 KARS1 (0.56) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16641767 0.90 CCNE1 (0.47) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16644801 0.86 KARS1 (0.62) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20067223 0.85 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20061638 0.85 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16641991 0.85 KARS1 (0.47) KARS1CCNE1CDK2RXRARXRB
SCHEMBL20055021 0.85 KARS1 (0.71) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16640721 0.85 KARS1 (0.48) KARS1CCNE1CDK2RXRARXRB
SCHEMBL16640719 0.83 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977356-B2 Cold pressure fix toner compositions based on crystalline polyester and amorphous organic compound mixtures XEROX CORPORATION (US) 2018-05-22 — — US disclosed
US-9977356-B2 Cold pressure fix toner compositions based on crystalline polyester and amorphous organic compound mixtures XEROX CORPORATION (US) 2018-05-22 — — US disclosed
US-9910373-B2 Cold pressure fix toner compositions based on small molecule crystalline and amorphous organic compound mixtures XEROX CORPORATION (US) 2018-03-06 — — US disclosed
US-9910373-B2 Cold pressure fix toner compositions based on small molecule crystalline and amorphous organic compound mixtures XEROX CORPORATION (US) 2018-03-06 — — US disclosed
US-20170017170-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES XEROX CORPORATION 2017-01-19 — — US disclosed
US-20170017170-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES XEROX CORPORATION 2017-01-19 — — US disclosed
US-9011587-B1 Phase change inks comprising novel crystalline compounds XEROX CORPORATION (US) 2015-04-21 — — US disclosed
US-9011587-B1 Phase change inks comprising novel crystalline compounds XEROX CORPORATION (US) 2015-04-21 — — US disclosed
US-20150101507-A1 PHASE CHANGE INKS COMPRISING NOVEL CRYSTALLINE COMPOUNDS XEROX CORPORATION (US) 2015-04-16 — — US disclosed
US-20150101507-A1 PHASE CHANGE INKS COMPRISING NOVEL CRYSTALLINE COMPOUNDS XEROX CORPORATION (US) 2015-04-16 — — US disclosed
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