SCHEMBL14652437

SCHEMBL14652437

CCC(C)(CC)C(=O)c1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ DBH P09172 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MLYCD O95822 10/20 0.37
▸ ADRA2B P18089 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL12948131 0.85 KDM4E (0.43) KDM4EDBHGAARECQLMLYCD
SCHEMBL16683783 0.80 KDM4E (0.48) KDM4EDBHGAARECQLMLYCD
SCHEMBL10026129 0.79 HSD17B3 (0.48) ADRA2BPGRADRA2AHTR2ALMNA
SCHEMBL14404948 0.79 CA2 (0.50) GAALMNAHDAC3HDAC4HDAC1
SCHEMBL15342884 0.79 KMT2A (0.48) GAALMNAHSD17B10
SCHEMBL14390414 0.79 MLYCD (0.38) MLYCD
SCHEMBL10121174 0.77 KDM4E (0.62) KDM4EDBHGAARECQLADRA2B
SCHEMBL28665649 0.76 CES1 (0.50) KDM4ELMNAHSD17B10SLC6A3CYP2D6
SCHEMBL21237992 0.76 HPGD (0.50) —
SCHEMBL12948133 0.75 GAA (0.41) KDM4EDBHGAARECQLKCNH2

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-20130022905-A1 ELECTROSTATIC IMAGE DEVELOPING TONER, ELECTROSTATIC IMAGE DEVELOPER, TONER CARTRIDGE, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS AND IMAGE FORMING METHOD FUJI XEROX CO., LTD. (JP) 2013-01-24 — — US disclosed
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