SCHEMBL9497041

SCHEMBL9497041

CCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.42
PLA2G4B P0C869 2/20 0.42
PLA2G2C Q5R387 2/20 0.42
HTT P42858 1/20 0.41
CES2 O00748 4/20 0.41
FAAH O00519 4/20 0.41
CES1 P23141 4/20 0.41
PLA2G6 O60733 1/20 0.41
LPAR5 Q9H1C0 4/20 0.40
LPAR1 Q92633 4/20 0.40
LPAR2 Q9HBW0 4/20 0.40
LPAR3 Q9UBY5 4/20 0.40

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
SCHEMBL9498902 0.85 USP2 (0.41) GMNNTP53POLBMAPTTHRB
SCHEMBL3519129 0.80 MAPT (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9110679 0.79 GRIK1 (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL29646234 0.79 MAPT (0.52) GMNNTP53POLBMAPTTHRB
SCHEMBL9108768 0.79 GRIK1 (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL11580806 0.78 USP2 (0.61) MAPTTHRBUSP2PLA2G4BPLA2G2C
SCHEMBL11735424 0.78 USP2 (0.61) MAPTTHRBUSP2PLA2G4BPLA2G2C
SCHEMBL11739224 0.78 USP2 (0.61) MAPTTHRBUSP2PLA2G4BPLA2G2C
SCHEMBL7797300 0.78 USP2 (0.61) MAPTTHRBUSP2PLA2G4BPLA2G2C
SCHEMBL11734597 0.78 USP2 (0.61) MAPTTHRBUSP2PLA2G4BPLA2G2C

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
US-5208223-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
US-5144045-A Treatment of inflammatory related disorders AMERICAN CYANAMID COMPANY (US) 1992-09-01 US disclosed