SCHEMBL9768074

SCHEMBL9768074

Oc1ccc(C(O)CNC2CCCCCC2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.63
▸ KDM4E B2RXH2 5/20 0.57
▸ MAPT P10636 5/20 0.56
▸ ADRB1 P08588 5/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ ADRB3 P13945 3/20 0.56
▸ MTOR P42345 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ DRD2 P14416 2/20 0.56
▸ ADRA1D P25100 2/20 0.56
▸ ADRA1A P35348 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
Norbudrine SCHEMBL29387737 0.95 ADRB2 (0.65) ADRB2KDM4EMAPTADRB1TDP1
Norbudrine SCHEMBL2732733 0.95 ADRB2 (0.65) ADRB2KDM4EMAPTADRB1TDP1
SCHEMBL4868791 0.86 ADRB2 (0.87) ADRB2KDM4EADRB1TDP1TSHR
Methane SCHEMBL5000046 0.85 ADRB2 (0.85) ADRB2KDM4EADRB1TDP1TSHR
SCHEMBL11882698 0.83 KDM4E (0.55) ADRB2KDM4EADRB1ADRB3BCHE
SCHEMBL19330018 0.81 KDM4E (0.63) ADRB2KDM4EADRB1TDP1ADRB3
SCHEMBL11669969 0.80 ADRB2 (0.54) ADRB2KDM4EADRB1ADRB3BCHE
SCHEMBL8975241 0.79 KDM4E (0.55) ADRB2KDM4EADRB1ADRB3BCHE
SCHEMBL10879276 0.78 KDM4E (0.64) ADRB2KDM4EADRB3MEN1KMT2A
SCHEMBL11882040 0.78 ADRB2 (0.62) ADRB2KDM4EADRB1ADRB3PMP22

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
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