SCHEMBL30176288

SCHEMBL30176288

COC(=O)Cc1c(Br)n(-c2ccc(F)c(C)c2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
PLA2G2A P14555 6/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
AKR1C3 P42330 3/20 0.39
PTGS2 P35354 2/20 0.39
BCL2 P10415 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
AKR1C2 P52895 1/20 0.38

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
SCHEMBL23886955 1.00 EDNRB (0.45) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL28995415 0.87 FFAR1 (0.48) EDNRBEDNRAPLA2G2A
SCHEMBL30176307 0.86 PLA2G2A (0.45) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL23886720 0.86 PLA2G2A (0.45) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL30176331 0.82 PLA2G4A (0.46) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL23886848 0.82 PLA2G4A (0.46) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL23886852 0.80 S1PR3 (0.44) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL30176254 0.80 S1PR3 (0.44) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL23886843 0.76 S1PR3 (0.43) EDNRBEDNRAPLA2G2AMEN1NPC1
SCHEMBL30337659 0.76 S1PR3 (0.43) EDNRBEDNRAPLA2G2AMEN1NPC1

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-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed