SCHEMBL9768301

SCHEMBL9768301

COc1ccc(NCC(O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
ALDH1A1 P00352 3/20 0.68
ADRB2 P07550 10/20 0.56
ADRB1 P08588 6/20 0.56
TDP1 Q9NUW8 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ADRB3 P13945 4/20 0.56
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MTOR P42345 3/20 0.56
TSHR P16473 3/20 0.56
MAPK1 P28482 3/20 0.56
HSD17B10 Q99714 3/20 0.56
DRD1 P21728 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
ADRA1D P25100 2/20 0.56

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
SCHEMBL9768222 0.84 ADRB2 (0.61) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768266 0.83 ADRB2 (0.53) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768056 0.81 ADRB2 (0.57) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768174 0.81 ADRB2 (0.58) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768046 0.80 ADRB2 (0.60) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL28335725 0.79 MAPT (0.75) MAPTALDH1A1ADRB2TDP1KDM4E
SCHEMBL11810215 0.78 ADRB2 (0.73) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768060 0.77 ADRB2 (0.53) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL9768343 0.77 INSR (0.57) MAPTALDH1A1ADRB2ADRB1TDP1
SCHEMBL5828700 0.77 ADRA1A (0.50) MAPTALDH1A1ADRB2ADRB1TDP1

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed