SCHEMBL9684717

SCHEMBL9684717

CC(CC1OCCc2ccccc21)NCC(O)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.43
HIF1A Q16665 3/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD1 P21728 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9683757 0.92 ADRB2 (0.50) ADRB2HIF1ATSHRADRB1ADRB3
SCHEMBL9683704 0.89 ALDH1A1 (0.44) ADRB2TSHRRAB9AADRB1ADRB3
SCHEMBL9684696 0.89 ALDH1A1 (0.44) ADRB2TSHRRAB9AADRB1ADRB3
SCHEMBL9683619 0.89 ALDH1A1 (0.44) ADRB2TSHRRAB9AADRB1ADRB3
SCHEMBL9684731 0.89 ADRB2 (0.44) ADRB2HIF1ATSHRRAB9AADRB1
SCHEMBL9684785 0.89 ADRB2 (0.44) ADRB2HIF1ATSHRRAB9AADRB1
SCHEMBL9684954 0.87 THRB (0.52) ADRB2TSHRRAB9AADRB3HTR1A
SCHEMBL9684978 0.86 CYP2D6 (0.52) ADRB2HIF1ATSHRRAB9ASLC6A3
SCHEMBL9683608 0.84 XBP1 (0.47) TSHRRAB9ALMNAKDM4EGAA
SCHEMBL9683717 0.84 ALDH1A1 (0.48) ADRB2HIF1ATSHRRAB9AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed