SCHEMBL10118848

SCHEMBL10118848

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TAOK1 Q7L7X3 4/20 0.38
TAOK3 Q9H2K8 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
CTSB P07858 2/20 0.35
GRM7 Q14831 2/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL10118949 0.84 SDCBP (0.42) SMN1; SMN2TAOK1TAOK3LMNAKMT2A
SCHEMBL12516657 0.81 GAA (0.42) SMN1; SMN2TAOK1TAOK3LMNAKMT2A
SCHEMBL10119268 0.77 CTSB (0.46) SMN1; SMN2LMNAKMT2AGFERALDH1A1
SCHEMBL12516879 0.76 CTSB (0.51) TAOK1TAOK3LMNAKMT2AMEN1
SCHEMBL8968999 0.75 HPGD (0.53) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL8969003 0.75 HPGD (0.53) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL10118970 0.74 PSMB5 (0.56) CTSB
SCHEMBL10118862 0.74 PSMB5 (0.56) CTSB
SCHEMBL10119287 0.74 CTSS (0.60) CTSB
SCHEMBL10118849 0.72 HPGD (0.56) SMN1; SMN2LMNAKMT2AMEN1HTT

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-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO disclosed