SCHEMBL10692257

SCHEMBL10692257

CCN(CC)C(O)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.51
LMNA P02545 4/20 0.51
GALR3 O60755 1/20 0.51
ADRB1 P08588 2/20 0.50
ADRA1A P35348 2/20 0.50
DRD3 P35462 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRB3 P13945 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD1 P21728 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1B P35368 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL27609318 0.81 OPRK1 (0.60) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL5317697 0.78 LMNA (0.52) LMNAADRA1ADRD3HTR1AADRA2A
SCHEMBL5682627 0.75 OPRM1 (0.46) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL2978589 0.75 LMNA (0.66) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL31094667 0.75 LMNA (0.66) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL12610310 0.75 LMNA (0.66) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL9722026 0.74 HIF1A (0.55) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL10206558 0.74 HIF1A (0.55) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL1132949 0.74 OPRK1 (0.53) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL13310383 0.73 OPRM1 (0.54) HIF1ALMNAGALR3ADRB1ADRA1A

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-4734376-A SELECTIVE EXTRACTION AND COLORMETRIC DETERMINATION THE PRESIDENT & TRUSTEES OF THE MIAMI UNIVERSITY (US) 1988-03-29 US disclosed
US-4659815-A Chromogenic aza-12-crown-4 ethers and method of using same for the detection of lithium THE PRESIDENT AND TRUSTEES OF THE MIAMI UNIVERSITY (US) 1987-04-21 US disclosed