SCHEMBL2219451

SCHEMBL2219451

Cc1c(C)c(O)c(O)c(CO)c1C.Cc1cc(O)c(O)c(CO)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
APP P05067 1/20 0.36
SHBG P04278 1/20 0.35
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
AKR1B1 P15121 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
G6PD P11413 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
Methane SCHEMBL27839244 0.88 SHBG (0.39) MAOBAPPSHBGSELLSELP
Methane SCHEMBL2219454 0.88 SHBG (0.39) MAOBAPPSHBGSELLSELP
SCHEMBL2220860 0.79 SELL (0.43) MAOBAPPSHBGSELLSELP
SCHEMBL2219441 0.76 SHBG (0.48) SHBGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5676441 0.76 SELL (0.40) MAOBAPPSELLSELPSELE
SCHEMBL13025134 0.75 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10692643 0.72 SELL (0.37) MAOBAPPSELLSELPSELE
Methane SCHEMBL2216918 0.72 SHBG (0.44) MAOBAPPSHBGSELLSELP
SCHEMBL5516684 0.72 KDM4E (0.38) SHBGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2216916 0.72 SHBG (0.40) MAOBAPPSHBGKDM4EALDH1A1

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-20110173807-A1 DISPERSION FOR DISPOSING FINE PARTICLE AT PREDETERMINED POINT ON SUBSTRATE BY INK-JET PRINTING NATOCO CO., LTD. (JP) 2011-07-21 US disclosed