SCHEMBL14612149

SCHEMBL14612149

CCCCCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
TNF P01375 2/20 0.46
DGKA P23743 1/20 0.45
EPHX2 P34913 1/20 0.44
TLR2 O60603 2/20 0.43
NLRP3 Q96P20 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PAM P19021 2/20 0.41

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
SCHEMBL16360194 0.99 KMT2A (0.54) KMT2AFABP5FABP7TNFDGKA
SCHEMBL10071038 0.95 KMT2A (0.50) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL4947412 0.91 KMT2A (0.57) KMT2ATNFDGKAEPHX2TLR2
SCHEMBL14759878 0.91 KMT2A (0.60) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL29779340 0.89 KMT2A (0.50) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL30781736 0.89 KMT2A (0.50) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL47693 0.89 KMT2A (0.50) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL3623157 0.89 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5497604 0.86 KMT2A (0.55) KMT2AFABP5FABP7TNFEPHX2
SCHEMBL14612136 0.85 KMT2A (0.48) KMT2AFABP5FABP7TNFTLR2

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
WO-2016188835-A1 SUPPORTS FOR MEMBRANE ENHANCED PEPTIDE SYNTHESIS LONZA LTD (CH) 2016-12-01 WO disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed