SCHEMBL11153294

SCHEMBL11153294

CC(CCc1ccccc1)NCC(O)c1ccc(O)c([S+](C)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.64
ADRA1A P35348 7/20 0.64
ADRB1 P08588 5/20 0.64
ADRA1D P25100 5/20 0.64
ADRA1B P35368 5/20 0.64
CYP2D6 P10635 3/20 0.64
ADRA2A P08913 3/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HTR1A P08908 3/20 0.64
SLC6A2 P23975 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC6A4 P31645 2/20 0.64
OPRM1 P35372 2/20 0.64
DRD3 P35462 2/20 0.64
HTR2B P41595 2/20 0.64
SLC6A3 Q01959 2/20 0.64
CYP1A2 P05177 2/20 0.64

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
Acetic Acid SCHEMBL10651729 0.96 ADRB2 (0.65) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL29387627 0.87 SLC6A4 (0.66) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL6510272 0.87 SLC6A4 (0.66) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11191842 0.87 ADRB2 (0.52) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL78008 0.87 SLC6A4 (0.66) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL29918144 0.86 ADRA1A (0.65) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11199965 0.86 ADRB2 (0.48) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL121669 0.86 ADRA1A (0.65) ADRB2ADRA1AADRB1ADRA1DADRA1B
Sulfinalol SCHEMBL1650838 0.86 SLC6A4 (0.64) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11372676 0.83 ADRB2 (0.58) ADRB2ADRA1AADRB1ADRA1DADRA1B

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-4374149-A HYPOTENSIVE AGENT AND VASODILATOR STERLING DRUG INC. (US) 1983-02-15 US claimed