SCHEMBL7438774

SCHEMBL7438774

CC(=O)SC(CCc1ccccc1)N1C(=O)CN(C23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FAAH O00519 4/20 0.34
EPHX2 P34913 2/20 0.34
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ACE P12821 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B2 P37059 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7438517 0.80 GAA (0.35) HSD11B1P2RX7NPC1RAB9AEPHX2
SCHEMBL7438509 0.71 CPA3 (0.37) HSD11B1ALDH1A1HPGD
SCHEMBL7435682 0.62 KMT2A (0.37) CNR1CNR2ALDH1A1ACENPSR1
SCHEMBL7431861 0.62 CNR2 (0.33) NPC1CNR2GAAALDH1A1NPSR1
SCHEMBL7188715 0.61 KMT2A (0.56) NPC1RAB9ACNR2MAPK1SMN1; SMN2
SCHEMBL7432509 0.61 TSHR (0.33) CNR2GAAALDH1A1ACENPSR1
SCHEMBL7307985 0.60 ACE (0.47) CNR2SMN1; SMN2ALDH1A1ACEHPGD
SCHEMBL7307992 0.60 ACE (0.47) CNR2SMN1; SMN2ALDH1A1ACEHPGD
SCHEMBL13970215 0.60 ALDH1A1 (0.43) NPC1RAB9ACNR1CNR2MAPK1
SCHEMBL15989073 0.60 CYP19A1 (0.48) HSD11B1P2RX7NPC1RAB9AEPHX2

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed