SCHEMBL1000025

SCHEMBL1000025

CCCCCCCCCCCCOc1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.68
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.66
PLA2G4B P0C869 1/20 0.64
RARB P10826 3/20 0.61
PPARG P37231 2/20 0.61
PPARA Q07869 1/20 0.61
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.59
PLK1 P53350 1/20 0.58

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
SCHEMBL19781425 1.00 MMP1 (0.68) MMP1TP53TSHRPLA2G4BRARB
SCHEMBL12894669 0.96 MMP1 (0.74) MMP1TP53TSHRALDH1A1LMNA
SCHEMBL835053 0.90 PLK1 (0.67) MMP1TSHRALDH1A1LMNAMEN1
SCHEMBL8947303 0.87 MMP1 (0.67) MMP1TP53TSHRPLA2G4BRARB
SCHEMBL28570651 0.87 NPC1 (0.68) MMP1TP53TSHRPLA2G4BALDH1A1
SCHEMBL12638372 0.86 MMP1 (0.65) MMP1TP53TSHRPLA2G4BPOLB
SCHEMBL9402561 0.86 PLA2G2A (0.66) MMP1TP53TSHRPLA2G4BALDH1A1
SCHEMBL9402758 0.86 PLA2G2A (0.66) MMP1TP53TSHRPLA2G4BALDH1A1
SCHEMBL11758823 0.85 NPC1 (0.72) MMP1TP53TSHRPLA2G4BMEN1
SCHEMBL9490019 0.85 NPC1 (0.72) MMP1TP53TSHRPLA2G4BMEN1

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
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed