SCHEMBL15577964

SCHEMBL15577964

Cc1ncc([CH]O)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDXK O00764 2/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
TNF P01375 2/20 0.33
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
ACP1 P24666 1/20 0.32
PDE4A P27815 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
VRK1 Q99986 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29952515 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31184201 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2260982 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3679226 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
Methane SCHEMBL6846367 0.70 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
Methane SCHEMBL11010980 0.68 PDXK (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4321859 0.67 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12677154 0.65 CYP3A4 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL16418384 0.65 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1049253 0.65 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA

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-2014043025-A1 MULTIPLE FOLATE FORMULATION AND USE THEREOF JAYMAC PHARMACEUTICALS, LLC (US) 2014-03-20 WO claimed