SCHEMBL8086853

SCHEMBL8086853

C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.56
LMNA P02545 2/20 0.51
HIF1A Q16665 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRM1 P35372 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ADRB2 P07550 1/20 0.49
CYP2D6 P10635 1/20 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
SCHEMBL8086859 1.00 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7108532 0.88 ADRB3 (0.57) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7108535 0.88 ADRB3 (0.57) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8080797 0.87 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8080792 0.87 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7107117 0.86 ADRB3 (0.67) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7107114 0.86 ADRB3 (0.67) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8081760 0.84 ADRB3 (0.54) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8081757 0.84 ADRB3 (0.54) ADRB3LMNAHIF1ASLC6A2SLC6A4
Acetic Acid SCHEMBL8086863 0.81 ADRB3 (0.52) ADRB3LMNAHIF1ASLC6A2SLC6A4

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
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed