SCHEMBL5972005

SCHEMBL5972005

O=C(O)CCCCCCCCCCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
FABP5 Q01469 3/20 0.49
FABP7 O15540 2/20 0.49
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
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
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MGLL Q99685 1/20 0.42
CASP3 P42574 2/20 0.42
CA1 P00915 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
SCHEMBL2401694 1.00 KMT2A (0.70) KMT2AFABP5FABP7EPHX2MAPT
SCHEMBL1853371 0.95 KMT2A (0.64) KMT2AFABP5FABP7EPHX2MGLL
SCHEMBL14759878 0.94 KMT2A (0.60) KMT2AFABP5FABP7EPHX2MGLL
SCHEMBL7565247 0.90 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL5497609 0.89 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL31378081 0.89 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL3623157 0.89 KMT2A (0.55) KMT2AFABP5FABP7EPHX2MGLL
SCHEMBL5092805 0.89 KMT2A (0.74) KMT2AFABP5FABP7HDAC3HDAC4
SCHEMBL16360194 0.87 KMT2A (0.54) KMT2AFABP5FABP7EPHX2
SCHEMBL7132450 0.87 KMT2A (0.54) KMT2AFABP5FABP7EPHX2MGLL

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
US-7067689-B1 Process for production of pentahydroxyhexylcarbamoyl alkanoic acids MICROBIA, INC. (US) 2006-06-27 US disclosed