SCHEMBL8208997

SCHEMBL8208997

NC(=O)N1C(=O)[C@H](c2ccc(OCc3cc(F)cc(F)c3)cc2)C[C@@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.42
MAOA P21397 10/20 0.42
GSK3B P49841 2/20 0.42
BACE1 P56817 2/20 0.42
KCNH2 Q12809 4/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PARP10 Q53GL7 1/20 0.40
SCN3A Q9NY46 2/20 0.40
S1PR5 Q9H228 1/20 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
SCHEMBL8209631 0.90 S1PR5 (0.51) MAOBMAOAGSK3BBACE1KCNH2
SCHEMBL8209192 0.86 MMP13 (0.49) MAOBMAOAKCNH2NPC1RAB9A
SCHEMBL8213085 0.82 MMP13 (0.46) KCNH2NPC1POLBRAB9APARP10
SCHEMBL8209566 0.78 POLB (0.45) MAOBMAOAPOLBRAB9APARP10
SCHEMBL8212956 0.78 MMP13 (0.42) MAOBPOLB
SCHEMBL8209442 0.77 KDM1A (0.43) KCNH2NPC1RAB9APARP10SCN3A
SCHEMBL8209387 0.75 S1PR5 (0.42) MAOBMAOANPC1RAB9AS1PR5
SCHEMBL8211587 0.74 S1PR1 (0.42) MAOBMAOAS1PR5
SCHEMBL8211593 0.74 ALOX5 (0.52) KCNH2PARP10SCN3A
SCHEMBL8210831 0.74 BTK (0.35) MAOBMAOAKCNH2SCN3A

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