SCHEMBL6662656

SCHEMBL6662656

COC(=O)c1ccc(C(=O)OC)s1.NNC(=O)c1ccc(C(=O)NN)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 3/20 0.53
PPARG P37231 2/20 0.53
NCOA1 Q15788 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53
LMNA P02545 1/20 0.53
NCOA2 Q15596 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL1304018 1.00 MAPT (0.53) MAPTNPSR1PPARGNCOA1NCOA3
SCHEMBL70027 0.85 NPSR1 (0.67) MAPTNPSR1PPARGNCOA1NCOA3
SCHEMBL276955 0.85 ALDH1A1 (0.58) MAPTNPSR1LMNAALDH1A1KDM4E
SCHEMBL1588287 0.83 NPSR1 (0.51) NPSR1PPARGNCOA1NCOA3LMNA
SCHEMBL1587481 0.82 NPSR1 (0.55) MAPTNPSR1PPARGNCOA1NCOA3
SCHEMBL2638143 0.82 ALDH1A1 (0.51) MAPTLMNAALDH1A1KDM4EPOLB
SCHEMBL16011515 0.81 HDAC1 (0.61) NPSR1PPARGNCOA1NCOA3LMNA
SCHEMBL1587163 0.81 ALDH1A1 (0.51) MAPTLMNAALDH1A1TSHRKDM4E
SCHEMBL1588044 0.81 NPSR1 (0.40) MAPTNPSR1PPARGNCOA1NCOA3
SCHEMBL28643715 0.80 NPSR1 (0.56) MAPTNPSR1PPARGNCOA1NCOA3

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-2004003044-A2 DYNAMERS: POLYMERIC MATERIALS EXHIBITING REVERSIBLE FORMATION AND COMPONENT EXCHANGE LEHN JEAN-MARIE (FR) 2004-01-08 WO disclosed