SCHEMBL18382981

SCHEMBL18382981

CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)OCCOCCOC(=O)C3(C)CCC[C@@]4(C)c5ccc(C(C)C)cc5CCC34)CCCC21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.71
RXRA P19793 1/20 0.71
CCNE1 P24864 1/20 0.71
CDK2 P24941 1/20 0.71
RXRB P28702 1/20 0.71
RXRG P48443 1/20 0.71
CYP3A4 P08684 4/20 0.70
LMNA P02545 1/20 0.70
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
PDK1 Q15118 1/20 0.58
PDK2 Q15119 1/20 0.58
PDK3 Q15120 1/20 0.58
PDK4 Q16654 1/20 0.58
CYP2C9 P11712 1/20 0.58
TDP1 Q9NUW8 4/20 0.57
MAPK1 P28482 2/20 0.57

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
SCHEMBL18387169 1.00 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL16640718 1.00 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL14648825 1.00 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20055020 1.00 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL18382980 0.96 KARS1 (0.66) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20169832 0.96 KARS1 (0.66) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15339349 0.93 KARS1 (0.72) KARS1RXRACCNE1CDK2RXRB
SCHEMBL13454818 0.91 KARS1 (0.64) KARS1RXRACCNE1CDK2RXRB
SCHEMBL4580152 0.90 KARS1 (0.68) KARS1RXRACCNE1CDK2RXRB
SCHEMBL2603429 0.90 KARS1 (0.74) KARS1RXRACCNE1CDK2RXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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