SCHEMBL19954740

SCHEMBL19954740

CCCCCCCCC(C)C(N)(CC)C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRSS1 P07477 3/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTR2A P28223 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
HDAC3 O15379 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
SCHEMBL27556298 0.79 CSNK1E (0.38) CSNK1EALDH1A1MEN1KMT2ANPSR1
SCHEMBL7616178 0.78 ALDH1A1 (0.43) CSNK1EALDH1A1MEN1KMT2ANPSR1
SCHEMBL19954704 0.77 CYP2D6 (0.43) ALDH1A1KMT2A
Hydrogen Peroxide SCHEMBL9456660 0.76 ALDH1A1 (0.46) CSNK1EALDH1A1MEN1KMT2ANPSR1
SCHEMBL19954706 0.75 KIF11 (0.40) MEN1KMT2A
SCHEMBL996262 0.74 POLB (0.38) ALDH1A1MEN1KMT2APRSS1CTSG
Ammonia Solution, Strong SCHEMBL578180 0.74 CSNK1E (0.38) CSNK1EALDH1A1MEN1KMT2ANPSR1
Hexane SCHEMBL28962140 0.73 TAAR1 (0.44) ALDH1A1
SCHEMBL483814 0.73 CSNK1E (0.50) CSNK1EALDH1A1MEN1KMT2AMMP2
SCHEMBL6056306 0.73 CSNK1E (0.50) CSNK1EALDH1A1MEN1KMT2AMMP2

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-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 US disclosed