SCHEMBL459465

SCHEMBL459465

CCCCCCCCCCN1c2ccccc2N(CCCCCCCCCC)C1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 5/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
CDC25A P30304 5/20 0.43
CES1 P23141 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
GBA1 P04062 1/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40

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
Bromide SCHEMBL460851 0.79 ALDH1A1 (0.47) CDC25ACES1KDM4ELMNAALDH1A1
SCHEMBL28537893 0.79 CES1 (0.45) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL2395299 0.75 PRKCD (0.57) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL9722551 0.74 HTR1A (0.44) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL28979323 0.73 CDC25A (0.46) CDC25ACES1KDM4ELMNA
SCHEMBL28283751 0.73 CDC25A (0.46) CDC25ACES1KDM4ELMNA
SCHEMBL28979096 0.73 CDC25A (0.46) CDC25ACES1KDM4ELMNA
SCHEMBL28979310 0.73 CDC25A (0.46) CDC25ACES1KDM4ELMNA
SCHEMBL28979082 0.73 CDC25A (0.46) CDC25ACES1KDM4ELMNA
SCHEMBL25387249 0.72 TDP1 (0.40) CDC25ACES1KDM4ELMNAALDH1A1

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
WO-2012011793-A1 SURFACTANTS FOR THE MODIFICATION OF CLAY, METHOD OF SYNTHESIS AND THE NANOCOMPOSITES PRODUCED MOROCCAN FOUNDATION FOR ADVANCED SCIENCE, INNOVATION & RESEARCH (MASCIR) (MA) 2012-01-26 WO disclosed