SCHEMBL12016740

SCHEMBL12016740

BC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
FABP5 Q01469 3/20 0.55
FABP7 O15540 2/20 0.55
EPHX2 P34913 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HTR2A P28223 1/20 0.45
CASP3 P42574 2/20 0.43
POLB P06746 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
SCHEMBL15981181 0.86 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.86 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29381061 0.85 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29901230 0.85 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2782675 0.85 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44677 0.85 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30667581 0.85 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7139454 0.83 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17703893 0.83 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5497604 0.83 KMT2A (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064228-B1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS INC (US) 2012-08-29 EP disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed