SCHEMBL22953181

SCHEMBL22953181

CNC[C@H](O)c1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.74
HIF1A Q16665 3/20 0.63
ADRB2 P07550 3/20 0.63
ADRB1 P08588 2/20 0.63
ADRA2A P08913 2/20 0.63
ADRB3 P13945 2/20 0.63
TSHR P16473 2/20 0.63
ADRA2B P18089 2/20 0.63
ADRA2C P18825 2/20 0.63
DRD1 P21728 2/20 0.63
ADRA1A P35348 2/20 0.63
ADRA1B P35368 2/20 0.63
DRD3 P35462 2/20 0.63
HTR1A P08908 1/20 0.63
NFKB1 P19838 1/20 0.63
HTR7 P34969 1/20 0.63
RAB9A P51151 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KDM4E B2RXH2 4/20 0.61
BLM P54132 2/20 0.61

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
SCHEMBL3443108 1.00 AOC3 (0.74) AOC3HIF1AADRB2ADRB1ADRA2A
Hydrochloric Acid SCHEMBL6848635 0.98 AOC3 (0.72) AOC3HIF1AADRB2ADRB1ADRA2A
SCHEMBL3070382 0.84 HIF1A (0.56) AOC3HIF1AADRB2ADRB1ADRA2A
SCHEMBL25101091 0.84 HTT (0.61) AOC3HIF1AADRB2ADRB1ADRA2A
SCHEMBL11201986 0.84 HIF1A (0.59) AOC3HIF1AADRB2ADRB1ADRA2A
SCHEMBL7628013 0.84 HIF1A (0.59) AOC3HIF1AADRB2ADRB1ADRA2A
SCHEMBL19407140 0.84 AOC3 (0.61) AOC3KDM4EL3MBTL1SLC6A2SLC6A4
SCHEMBL12186405 0.83 AOC3 (0.68) AOC3HIF1AADRB2KDM4ELMNA
SCHEMBL15161591 0.83 AOC3 (0.68) AOC3HIF1AADRB2KDM4ELMNA
Hydrochloric Acid SCHEMBL11418040 0.83 HIF1A (0.60) AOC3HIF1AADRB2ADRB1ADRA2A

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
WO-2023152642-A1 OPHTHALMIC COMPOSITIONS AND METHODS THEREOF AVACA PHARMA PRIVATE LIMITED (IN) 2023-08-17 WO disclosed
WO-2021019350-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF ANAL AND RECTAL DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-02-04 WO disclosed