SCHEMBL7631246

SCHEMBL7631246

CN(CC(=O)C(F)(F)F)C(=O)c1ccc(OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARA Q07869 1/20 0.41
MLYCD O95822 2/20 0.40
PPARG P37231 2/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7626839 0.84 MEN1 (0.40) MEN1KMT2APPARAPPARGPKM
SCHEMBL7630706 0.80 PKM (0.60) PPARAPPARGPKM
SCHEMBL2818377 0.79 L3MBTL1 (0.53) PPARAPPARGPKM
SCHEMBL2815643 0.76 PPARA (0.47) PPARAPPARGPKM
SCHEMBL7627580 0.72 PPARG (0.47) PPARAPPARGHDAC1HDAC2
SCHEMBL3686163 0.70 ALDH1A1 (0.44) PPARAPPARG
SCHEMBL7625582 0.69 PPARG (0.45) PPARAPPARGHDAC1HDAC2
SCHEMBL5776738 0.69 MAPT (0.50) KMT2APPARA
SCHEMBL3682169 0.69 PPARG (0.39) PPARAPPARG
SCHEMBL2112969 0.69 MAPT (0.47) MEN1KMT2APPARA

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-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed