SCHEMBL8273302

SCHEMBL8273302

O=C(NCCC/C=C\CCCO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
EPHX2 P34913 1/20 0.46
CASP3 P42574 2/20 0.42
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
DOT1L Q8TEK3 1/20 0.40

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
SCHEMBL12134775 0.95 KMT2A (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL9882908 0.95 KMT2A (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL230688 0.90 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31031901 0.90 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29468684 0.90 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL1660910 0.89 KMT2A (0.74) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29401182 0.87 KMT2A (0.77) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29458423 0.87 KMT2A (0.77) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL887559 0.87 KMT2A (0.77) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6889085 0.87 KMT2A (0.77) KMT2AEPHX2CASP3FABP7FABP5

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
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed