SCHEMBL2771500

SCHEMBL2771500

O=C(O)O[C@H]1CCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
BCHE P06276 2/20 0.45
OPRD1 P41143 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL5681535 0.83 ALDH1A1 (0.46) GBA1OPRD1MEN1KMT2A
SCHEMBL22208166 0.78 GBA1 (0.50) GBA1MEN1KMT2ASIGMAR1
SCHEMBL9393233 0.78 NPSR1 (0.48) BCHEOPRD1MEN1KMT2AMAOB
SCHEMBL29014297 0.77 OPRD1 (0.48) OPRD1TSHR
SCHEMBL9818951 0.76 BCHE (0.44) GBA1BCHE
SCHEMBL18832119 0.75 BCHE (0.46) BCHEOPRD1MAOB
SCHEMBL2771075 0.75 GRM6 (0.54) GBA1MEN1TSHRKMT2ASIGMAR1
SCHEMBL2771071 0.75 GRM6 (0.54) GBA1MEN1TSHRKMT2ASIGMAR1
SCHEMBL2771498 0.75 GRM6 (0.54) GBA1MEN1TSHRKMT2ASIGMAR1
SCHEMBL8313882 0.74 BCHE (0.70) BCHEMEN1TSHRKMT2ASIGMAR1

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
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP claimed
EP-1211312-B1 Method for sterilizing transformed cells SUMITOMO CHEMICAL CO (JP) 2006-02-22 EP claimed