SCHEMBL28045904

SCHEMBL28045904

CCc1cccc(OCC2CO2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GLA P06280 1/20 0.61
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
PKM P14618 3/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL732840 0.87 ALDH1A1 (0.73) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL4276592 0.85 ALDH1A1 (0.67) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29618932 0.85 ALDH1A1 (0.67) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL20678988 0.84 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL7966736 0.83 ALDH1A1 (0.74) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL7966731 0.83 ALDH1A1 (0.74) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3956224 0.83 ALDH1A1 (0.74) ALDH1A1GLATP53TSHRHIF1A
Ethane SCHEMBL8645440 0.82 ALDH1A1 (0.72) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL28981041 0.81 ALDH1A1 (0.61) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL17667217 0.80 ALDH1A1 (0.55) ALDH1A1GLATP53TSHRHIF1A

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
CN-105283948-A Underfill material and method for manufacturing semiconductor device using same DEXERIALS CORP 2016-01-27 CN disclosed