SCHEMBL7307448

SCHEMBL7307448

CC(=O)SCc1[c]c(Oc2ccccc2)ccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTGS1 P23219 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TSPO P30536 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7306055 0.82 HDAC3 (0.37) PGRCA12CA1CA2CA4
SCHEMBL7300483 0.79 MAPK8 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7302686 0.77 KMT2A (0.36) CA9LMNAMAPTHPGDALDH1A1
SCHEMBL7307513 0.75 CYP2D6 (0.35) CA12CA1CA2CA4CA7
SCHEMBL7314969 0.72 LTA4H (0.39) PGRHDAC8MAPTALDH1A1
SCHEMBL1451346 0.70 LTA4H (0.55) CA1CA2CA4CA9AKR1C3
SCHEMBL7312968 0.69 EPHX1 (0.32) HDAC8
SCHEMBL7297199 0.68 MME (0.35) CA12CA1CA2CA4CA7
SCHEMBL8166466 0.68 LTA4H (0.35) AKR1C3HDAC8SMN1; SMN2LMNAMAPT
SCHEMBL10337545 0.67 LTA4H (0.46) PGRCA1CA2CA9AKR1C3

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-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed