SCHEMBL11889686

SCHEMBL11889686

O=C(O)C(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
THRB P10828 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
ADRA1A P35348 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL27926443 0.89 KMT2A (0.44) KMT2AMEN1ADORA3THRBCHRM1
SCHEMBL11388942 0.83 SRC (0.54) KMT2AMEN1ADORA3THRBCHRM1
SCHEMBL29385679 0.78 KMT2A (0.50) KMT2AMEN1SRCHDAC4HDAC2
SCHEMBL4120437 0.78 KMT2A (0.50) KMT2AMEN1SRCHDAC4HDAC2
Diphenylacetic Acid SCHEMBL8513250 0.76 SRC (0.62) KMT2AMEN1ADORA3THRBCHRM1
Diphenylacetic Acid SCHEMBL38022 0.76 SRC (0.62) KMT2AMEN1ADORA3THRBCHRM1
SCHEMBL4886483 0.76 LMNA (0.50) KMT2AMEN1L3MBTL1HDAC4HDAC2
SCHEMBL11363822 0.76 MEN1 (0.50) KMT2AMEN1TDP1L3MBTL1CYP2D6
SCHEMBL4538108 0.75 PTGS2 (0.61) TDP1L3MBTL1CYP2D6SRCHDAC3
Diphenylacetic Acid SCHEMBL3885595 0.75 HNF4A (0.50) KMT2AMEN1SRCBCAT2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed