SCHEMBL8563478

SCHEMBL8563478

[CH2]C(CC(CCc1ccccc1)CC(C)C)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PLA2G4A P47712 1/20 0.34
HRH1 P35367 2/20 0.34
CES1 P23141 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
CNR2 P34972 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
SCHEMBL8564334 0.78 CNR2 (0.36) LMNAHRH1CYP2D6CHRM1KCNH2
SCHEMBL6570549 0.73 PDPK1 (0.43) LMNAPLA2G4ACES1SMN1; SMN2L3MBTL1
SCHEMBL8830241 0.72 KDM4E (0.41) LMNAHRH1CYP2D6KCNH2SMN1; SMN2
SCHEMBL20586652 0.71 PLA2G4A (0.44) LMNAPLA2G4ACES1SMN1; SMN2L3MBTL1
SCHEMBL14962698 0.68 MAOA (0.44) LMNAHRH1CYP2D6CHRM1KCNH2
SCHEMBL14968411 0.68 MAOA (0.44) LMNAHRH1CYP2D6CHRM1KCNH2
SCHEMBL28294365 0.67 TSHR (0.41) SMN1; SMN2MEN1KMT2ATSHRPOLB
SCHEMBL6650369 0.67 METAP2 (0.41) LMNAPLA2G4ACES1SMN1; SMN2L3MBTL1
SCHEMBL6651146 0.67 METAP2 (0.41) LMNAPLA2G4ACES1SMN1; SMN2L3MBTL1
SCHEMBL6651144 0.67 METAP2 (0.41) LMNAPLA2G4ACES1SMN1; SMN2L3MBTL1

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-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed