SCHEMBL23201280

SCHEMBL23201280

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
CTSK P43235 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
CAPN1 P07384 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSH P09668 1/20 0.47

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
SCHEMBL6463762 1.00 ACE (0.57) ACECTSKSMN1; SMN2KMT2AMEN1
SCHEMBL23201281 1.00 ACE (0.57) ACECTSKSMN1; SMN2KMT2AMEN1
SCHEMBL4907367 0.87 CTSK (0.57) ACECTSKCAPN1CTSLCTSB
SCHEMBL10045695 0.87 ACE (0.55) ACECTSKSMN1; SMN2KMT2AMEN1
SCHEMBL14341582 0.83 CNR1 (0.52) ACECTSKSMN1; SMN2KMT2AMEN1
SCHEMBL24862949 0.82 CAPN1 (0.59) ACECTSKSMN1; SMN2KMT2AMEN1
SCHEMBL2369340 0.82 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL3292711 0.82 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL17865652 0.82 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL7732224 0.82 CTSK (0.63) CTSKCTSLCTSB

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
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed