SCHEMBL24319129

SCHEMBL24319129

CCc1c[nH]c([C@H](Cc2ccc(N[SH](=O)=O)cc2)NC(=O)Cc2ccc(OC)c(OC)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 6/20 0.55
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL23770076 0.86 PTPRB (0.50) PTPRBKMT2AMEN1NPSR1ALDH1A1
SCHEMBL24318145 0.86 PTPRB (0.53) PTPRBKMT2AMEN1RAB9ACYP3A4
SCHEMBL19775198 0.83 PTPRB (0.77) PTPRB
SCHEMBL24319135 0.82 PTPRB (0.56) PTPRBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL24767057 0.81 PTPRB (0.42) PTPRBRAB9APOLBMAPT
SCHEMBL24767062 0.80 PTPRB (0.38) PTPRBCYP2D6CYP2C19
SCHEMBL24767156 0.79 PTPRB (0.51) PTPRBSMN1; SMN2KMT2APOLBCYP3A4
SCHEMBL24318149 0.78 PTPRB (0.45) PTPRBLMNAKMT2AMEN1KDM4E
SCHEMBL23769990 0.77 PTPRB (0.56) PTPRB
SCHEMBL24767305 0.77 PTPRB (0.49) PTPRB

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-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
EP-3977994-A1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE Aerpio Pharmaceuticals, Inc. (US) 2022-04-06 EP disclosed