SCHEMBL6924397

SCHEMBL6924397

C=C(OC)c1ccc(C(=O)OC)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
HPGD P15428 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
OPRD1 P41143 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL70027 0.87 NPSR1 (0.67) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL18023552 0.84 NPSR1 (0.55) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1303016 0.81 NPSR1 (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL277203 0.79 LMNA (0.58) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2072953 0.78 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL25075387 0.78 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1587055 0.78 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL12319273 0.78 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL28643715 0.78 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1235256 0.77 LMNA (0.60) NPSR1LMNAPPARGNCOA2NCOA1

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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed