SCHEMBL10119210

SCHEMBL10119210

C[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ACE P12821 1/20 0.56
HSP90AA1 P07900 1/20 0.53
CTSG P08311 2/20 0.53
CTRB1 P17538 2/20 0.53
PRSS1 P07477 1/20 0.53
CMA1 P23946 1/20 0.53
TSHR P16473 1/20 0.51
PSMB5 P28074 2/20 0.50
LMNA P02545 1/20 0.50
USP30 Q70CQ3 1/20 0.50
CTSL P07711 3/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL7318555 0.86 PSMB5 (0.65) ACEPSMB5CTSLCTSSCTSK
SCHEMBL10119250 0.86 PSMB5 (0.65) ACEPSMB5CTSLCTSSCTSK
SCHEMBL17326481 0.86 HPGD (0.59) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL7278422 0.84 HPGD (0.67) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL7278424 0.84 HPGD (0.67) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11125429 0.84 HPGD (0.67) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL23013621 0.83 ACE (0.59) KMT2AMEN1ACETSHR
SCHEMBL23013623 0.83 ACE (0.59) KMT2AMEN1ACETSHR
SCHEMBL10118849 0.83 HPGD (0.56) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL9829689 0.82 CTSL (0.67) ACEPSMB5CTSLCTSSCTSK

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