SCHEMBL8770912

SCHEMBL8770912

O=C(O)CC(O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
IGF1R P08069 3/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL23080109 0.82 L3MBTL1 (0.46) KMT2ACYP1A2MEN1L3MBTL1
SCHEMBL3675113 0.82 CYP1A2 (0.50) CYP1A2
SCHEMBL28757378 0.82 CYP1A2 (0.50) CYP1A2
SCHEMBL657687 0.81 FNTA (0.54) KMT2ACYP1A2MEN1
SCHEMBL4483465 0.81 TAAR1 (0.54) CYP1A2
SCHEMBL4483463 0.81 TAAR1 (0.54) CYP1A2
SCHEMBL5864212 0.81 TAAR1 (0.54) CYP1A2
SCHEMBL186610 0.80 GABBR2 (0.55) L3MBTL1
SCHEMBL904490 0.80 GABBR2 (0.55) L3MBTL1
SCHEMBL904476 0.80 GABBR2 (0.55) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP disclosed