SCHEMBL27624293

SCHEMBL27624293

CCC(=O)Oc1occ(-c2cccc(OCc3ccccc3)c2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 3/20 0.44
NR4A2 P43354 2/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
PIN1 Q13526 1/20 0.42
FFAR1 O14842 3/20 0.42
PTGER4 P35408 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
SMPD1 P17405 2/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL27624291 0.96 PIN1 (0.45) MRGPRX4MAOBNR4A2PIN1FFAR1
SCHEMBL27624313 0.88 MRGPRX4 (0.46) MRGPRX4MAOBNR4A2PTGER4FFAR4
SCHEMBL27624307 0.86 MRGPRX4 (0.44) MRGPRX4MAOBNR4A2FFAR1PTGER4
SCHEMBL28752675 0.85 MRGPRX4 (0.46) MRGPRX4MAOBNR4A2PTGER4FFAR4
SCHEMBL27624319 0.84 BAZ2B (0.39) FABP3FABP4FABP5
SCHEMBL27624321 0.83 FFAR1 (0.40) MRGPRX4FABP3FABP4FABP5FFAR1
SCHEMBL27605315 0.80 NPC1 (0.38)
SCHEMBL3982596 0.79 PPARG (0.51) MRGPRX4MAOBNR4A2FABP3FABP4
SCHEMBL3978466 0.77 PPARG (0.51) MRGPRX4MAOBNR4A2PIN1FFAR1
SCHEMBL27605306 0.76 MAPT (0.38)

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