SCHEMBL7871514

SCHEMBL7871514

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NAMPT P43490 1/20 0.39
EPHX2 P34913 1/20 0.39
AKT1 P31749 1/20 0.38
OPRD1 P41143 1/20 0.38
IDO1 P14902 1/20 0.36
CASP3 P42574 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL6552293 0.89 KMT2A (0.52) KMT2AEPHX2OPRD1CASP3
SCHEMBL2414302 0.80 KMT2A (0.43) KMT2AEPHX2
SCHEMBL5557644 0.79 KMT2A (0.60) KMT2AEPHX2IDO1CASP3
SCHEMBL6032374 0.79 KMT2A (0.67) KMT2AEPHX2OPRD1CASP3
SCHEMBL29625033 0.77 KMT2A (0.65) KMT2AEPHX2IDO1CASP3
SCHEMBL13631378 0.77 KMT2A (0.65) KMT2AEPHX2IDO1CASP3
SCHEMBL732427 0.77 KMT2A (0.68) KMT2AEPHX2IDO1
SCHEMBL6209235 0.77 KMT2A (0.56) KMT2AEPHX2OPRD1
SCHEMBL32671446 0.76 KMT2A (0.51) KMT2ANAMPTEPHX2CASP3
SCHEMBL14485472 0.76 KMT2A (0.51) KMT2ANAMPTEPHX2CASP3

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-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 US disclosed