SCHEMBL28025338

SCHEMBL28025338

CC(O)c1cc(N)cc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.39
HIF1A Q16665 3/20 0.39
ADRA1A P35348 2/20 0.39
TSHR P16473 2/20 0.39
ADRB1 P08588 1/20 0.39
MIF P14174 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA14 Q9ULX7 1/20 0.36
UGT2B7 P16662 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10931556 0.86 ALDH1A1 (0.43) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL544301 0.85 ADRB2 (0.50) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL7591087 0.85 UGT2B7 (0.39) HIF1AADRA1ATSHRADRB1MIF
SCHEMBL6422609 0.80 ALDH1A1 (0.39) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL12266824 0.76 ALDH1A1 (0.36) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL13711149 0.74 GABRA1 (0.41) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL6423007 0.74 ESR1 (0.43) ADRB2HIF1AADRA1ATSHRADRB1
SCHEMBL62693 0.73
SCHEMBL63371 0.73
SCHEMBL9334010 0.73 UGT2B7 (0.46) HIF1ATSHRNOS3NOS1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844781-B A kind of graphene chemical modification hard polyurethane foams 杨秀莲 2018-03-23 CN claimed
CN-104892886-B A kind of hard resistance combustion polyurethane foam of low flue gas release 杨秀莲 2017-12-26 CN claimed
CN-104892886-A Hard flame-retardant polyurethane foam low in smoke release YANG XIULIAN 2015-09-09 CN claimed
CN-104844781-A Graphene chemically-modified hard polyurethane foam YANG XIULIAN 2015-08-19 CN claimed
CN-104844781-B A kind of graphene chemical modification hard polyurethane foams 杨秀莲 2018-03-23 CN disclosed
CN-104892886-B A kind of hard resistance combustion polyurethane foam of low flue gas release 杨秀莲 2017-12-26 CN disclosed