SCHEMBL16405166

SCHEMBL16405166

CCCCc1cc([C@](C)(c2cc(CC)c(O)c(CN(C)C)c2)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc(CN(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 6/20 0.43
CYP2D6 P10635 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GLA P06280 3/20 0.39
HPGD P15428 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL16712705 0.89 CYP2C19 (0.68) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL16477789 0.86 CYP2C19 (0.64) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL13090360 0.83 CYP2C19 (0.78) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL13609095 0.78 GABRA1 (0.52) CYP2C19ALOX15MAPK1HTTCYP2D6
SCHEMBL4583688 0.75 ALOX15 (0.55) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL199679 0.74 CYP2C19 (0.53) CYP2C19ALOX15MAPK1HTTCYP2D6
SCHEMBL959023 0.74 ALOX15 (0.53) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL11822725 0.74 CYP2C19 (0.58) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL12285794 0.73 ALOX15 (0.43) CYP2C19ALOX15MAPK1HTTALDH1A1
SCHEMBL3654451 0.73 ALOX15 (0.52) CYP2C19ALOX15MAPK1HTTALDH1A1

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
EP-2826472-A2 Telomerase activating compounds and their use Ben Gurion University Of The Negev Research And Development Authority (IL) 2015-01-21 EP disclosed