SCHEMBL1827260

SCHEMBL1827260

O=C(O)CC(CNCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
BCHE P06276 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
ADRB3 P13945 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3575908 0.91 BCHE (0.44) FAAHMTNR1AMTNR1BBCHEADRB3
SCHEMBL1824635 0.89 BCHE (0.40) FAAHMTNR1AMTNR1BBCHESMN1; SMN2
SCHEMBL1823043 0.88 BCHE (0.40) FAAHMTNR1AMTNR1BBCHEADRB3
SCHEMBL1823448 0.88 F10 (0.44) FAAHMTNR1AMTNR1BBCHESMN1; SMN2
SCHEMBL1824490 0.87 ATM (0.42) FAAHMTNR1AMTNR1BBCHEADRB3
SCHEMBL1826084 0.85 BCHE (0.41) MTNR1AMTNR1BBCHEKMT2AALDH1A1
SCHEMBL1825021 0.83 F10 (0.42) MTNR1AMTNR1BBCHESMN1; SMN2KMT2A
SCHEMBL1826707 0.83 LMNA (0.44) BCHELMNA
SCHEMBL1825718 0.83 GPR17 (0.39) MTNR1AMTNR1BBCHEKMT2AADRB3
SCHEMBL1824793 0.82 P2RX7 (0.41) MTNR1AMTNR1BBCHEKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed