SCHEMBL3408221

SCHEMBL3408221

C=C(OC(=O)CC)C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.46
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR174 Q9BXC1 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL15638381 0.79 RAB9A (0.54) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL15661401 0.79 MAPT (0.53) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL5043930 0.75 LMNA (0.48) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL3815000 0.74 MAPT (0.56) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL6846903 0.74 MAPT (0.56) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL11787009 0.72 SMN1; SMN2 (0.45) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL8710363 0.72 RAB9A (0.51) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL219147 0.72 KDM4E (0.66) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1772808 0.72 SMN1; SMN2 (0.58) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL11787025 0.71 PEPD (0.47) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1

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-2139829-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS Agency for Science, Technology and Research (SG) 2010-01-06 EP disclosed
WO-2008115153-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed