SCHEMBL11243754

SCHEMBL11243754

Cc1cc(O)c(C(C)C)cc1C(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 7/20 0.45
LMNA P02545 4/20 0.45
CYP2C9 P11712 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
KDM4E B2RXH2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX5 P09917 1/20 0.43

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
SCHEMBL18645423 0.83 TDP1 (0.49) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL19475890 0.81 ALDH1A1 (0.51) ALDH1A1MAPTALOX15PSMD14MMP2
SCHEMBL10428372 0.80 HPGD (0.54) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL11255424 0.78 CYP2C9 (0.55) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL10136508 0.77 LMNA (0.62) PLA2G1BTDP1ATG4BALDH1A1MAPT
Hydrochloric Acid SCHEMBL10588359 0.76 LMNA (0.60) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL4591107 0.76 LMNA (0.53) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL13243338 0.75 ALOX15 (0.51) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL9362720 0.75 ALOX15 (0.48) PLA2G1BTDP1ATG4BALDH1A1MAPT
SCHEMBL8082149 0.74 PTGS1 (0.63) PLA2G1BTDP1ATG4BALDH1A1HPGD

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-4346100-A Phenoxy acetic acid derivative, its preparation and therapeutic use SOCIETE D'ETUDES DE PRODUITS CHIMIQUES (FR) 1982-08-24 US disclosed
US-4254162-A CHOLERETIC AGENT SOCIETE D'ETUDES DE PRODUITS CHIMIQUES (FR) 1981-03-03 US disclosed