SCHEMBL9768174

SCHEMBL9768174

Oc1ccc(C(O)CNc2ccc(F)cc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.58
MAPT P10636 7/20 0.57
ADRB1 P08588 7/20 0.57
TDP1 Q9NUW8 6/20 0.57
KDM4E B2RXH2 5/20 0.57
ADRB3 P13945 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPK1 P28482 4/20 0.57
MTOR P42345 3/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP3A4 P08684 3/20 0.57
ADORA3 P0DMS8 3/20 0.57
DRD2 P14416 3/20 0.57
ADRA1D P25100 3/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1B P35368 3/20 0.57
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57

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
SCHEMBL9768056 0.84 ADRB2 (0.57) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768222 0.84 ADRB2 (0.61) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768046 0.84 ADRB2 (0.60) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768060 0.84 ADRB2 (0.53) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768301 0.81 MAPT (0.68) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768123 0.79 MAPT (0.58) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768266 0.79 ADRB2 (0.53) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL9768343 0.78 INSR (0.57) ADRB2MAPTADRB1TDP1KDM4E
SCHEMBL28335667 0.77 ADRB2 (0.53) ADRB2MAPTKDM4EMEN1KMT2A
SCHEMBL9768168 0.76 ADRB2 (0.54) ADRB2MAPTADRB1TDP1KDM4E

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