SCHEMBL8201643

SCHEMBL8201643

NC(=O)N1C(=O)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
KCNH2 Q12809 1/20 0.40
PARP14 Q460N5 4/20 0.39
PARP10 Q53GL7 4/20 0.39
MMP13 P45452 1/20 0.39
KMO O15229 1/20 0.38
HTT P42858 2/20 0.38
S1PR5 Q9H228 1/20 0.38
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL8211593 0.89 ALOX5 (0.52) ALOX5KCNH2PARP14PARP10MMP13
SCHEMBL8209387 0.89 S1PR5 (0.42) S1PR5FFAR1KMT2A
SCHEMBL8209442 0.84 KDM1A (0.43) ALOX5KCNH2PARP10MMP13HTT
SCHEMBL8213085 0.77 MMP13 (0.46) ALOX5KCNH2PARP14PARP10MMP13
SCHEMBL8210831 0.76 BTK (0.35) KCNH2MMP13HTT
SCHEMBL8209566 0.73 POLB (0.45) PARP10MMP13MEN1POLBKMT2A
SCHEMBL8209192 0.70 MMP13 (0.49) KCNH2PARP10MMP13S1PR5
SCHEMBL8208991 0.70 NPC1 (0.41) FFAR1MEN1KMT2A
SCHEMBL8778208 0.68 ALOX5 (0.79) ALOX5KCNH2PARP14PARP10
SCHEMBL8778183 0.68 ALOX5 (0.79) ALOX5KCNH2PARP14PARP10

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-6114361-A INHIBITORS OF MATRIX METALLOPROTEINASES AND REPROLYSIN; ADMINISTERING TO TREAT CONDITIONS WHICH CAN BE TREATED BY THE INHIBITION OF THESE ENZYMES PFIZER INC. (US) 2000-09-05 US claimed