SCHEMBL8969003

SCHEMBL8969003

CC(C)[C@@H](C=O)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49
HDAC1 Q13547 2/20 0.47
GAA P10253 1/20 0.45
LMNA P02545 5/20 0.45
NPC1 O15118 1/20 0.45
SLC1A2 P43004 1/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL8968999 1.00 HPGD (0.53) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL404659 0.90 NPC1 (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL5870755 0.84 SMN1; SMN2 (0.54) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL22811312 0.83 ALDH1A1 (0.54) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL27432290 0.83 SMN1; SMN2 (0.43) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16257896 0.83 MAOA (0.51) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL19939535 0.83 NPC1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL7056333 0.81 HPGD (0.56) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL13396265 0.81 HPGD (0.56) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL948160 0.81 HPGD (0.56) HPGDKMT2ASMN1; SMN2ALDH1A1MEN1

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
JP-8198837-A None JP disclosed
JP-H08198837-A PRODUCTION OF 2-AMINO-1-ALKANOL DERIVATIVE MITSUBISHI CHEM CORP 1996-08-06 JP disclosed