SCHEMBL8474153

SCHEMBL8474153

[CH2]CC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
EPHX2 P34913 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5497604 0.86 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL846010 0.84 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4446336 0.84 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4839280 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3920318 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14407142 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3623157 0.83 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29397975 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7268313 0.83 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12187737 0.83 KMT2A (0.64) KMT2AFABP5FABP7EPHX2CA1

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
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed