SCHEMBL27624422

SCHEMBL27624422

O=C(O)c1occc1-c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
MAOA P21397 5/20 0.48
MAOB P27338 5/20 0.48
FFAR1 O14842 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
SLC16A3 O15427 1/20 0.45
PPARD Q03181 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
F9 P00740 1/20 0.43

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
SCHEMBL27605321 0.89 MRGPRX4 (0.55) NR1H4MAOBMRGPRX4NR4A2
SCHEMBL3973274 0.88 NR1H4 (0.51) NR1H4MAOAMAOBFFAR1PPARD
SCHEMBL27624290 0.86 FFAR1 (0.54) MAOAMAOBFFAR1SLC16A3
SCHEMBL27605323 0.81 MEN1 (0.52) MAOBFFAR1HDAC8
SCHEMBL27624301 0.77 ESR1 (0.52) MAOBFFAR1MRGPRX4NR4A2
SCHEMBL3975306 0.77 SMPD1 (0.49) NR1H4MAOBMRGPRX4HDAC4NR4A2
SCHEMBL3975736 0.77 NR1H4 (0.45) NR1H4
SCHEMBL27624296 0.76 KMO (0.50) HDAC1HDAC8HDAC6
SCHEMBL3975374 0.76 GCGR (0.62) NR1H4
SCHEMBL3974918 0.74 ESR1 (0.42) FFAR1MRGPRX4PPARGNR4A2

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
CN-100543022-C 2-furancarboxylic acid hydrazide compound and contain the pharmaceutical composition of this compound DAINIPPON PHARMACEUTICAL CO (JP) 2009-09-23 CN disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed