SCHEMBL16517876

SCHEMBL16517876

CC(=O)C1(C)CCCC2(C)c3cc(Cc4cc5c(cc4C(C)C)CCC4C(C)(C(=O)O)CCCC54C)c(C(C)C)cc3CCC12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.66
OPRK1 P41145 1/20 0.66
KARS1 Q15046 4/20 0.60
RXRA P19793 1/20 0.60
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
PDE4D Q08499 1/20 0.57
POLA1 P09884 4/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
NR1H2 P55055 5/20 0.48
NR1H3 Q13133 5/20 0.48
ABHD16A O95870 1/20 0.47

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
SCHEMBL2603459 0.96 NR1I2 (0.71) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL15339356 0.96 NR1I2 (0.59) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL13111981 0.90 NR1I2 (0.71) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL14648817 0.89 ABHD16A (0.60) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL14648810 0.88 NR1I2 (0.68) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL2606187 0.88 NR1I2 (0.61) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL15339280 0.87 NR1I2 (0.60) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL15342409 0.87 NR1I2 (0.51) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL24806798 0.87 NR1I2 (0.58) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL2603470 0.87 NR1I2 (0.58) NR1I2OPRK1KARS1RXRACCNE1

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-8962230-B2 Electrostatic-image developing toner, electrostatic image developer, toner cartridge, process cartridge, image-forming apparatus, and method for forming image FUJI XEROX CO., LTD. (JP) 2015-02-24 US disclosed