SCHEMBL8209566

SCHEMBL8209566

COc1ccc([C@@H]2C[C@H](C(=O)O)N(C(N)=O)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 2/20 0.40
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
KDM1A O60341 2/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAP2K3 P46734 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL8209442 0.85 KDM1A (0.43) RAB9AMMP1MMP13KDM1ASMN1; SMN2
SCHEMBL8213085 0.83 MMP13 (0.46) POLBRAB9AMMP1MMP13PARP10
SCHEMBL8209387 0.83 S1PR5 (0.42) RAB9AL3MBTL1MAOAMAOBKMT2A
SCHEMBL8210831 0.82 BTK (0.35) MMP1MMP13MAOAMAOBKDM1A
SCHEMBL8209192 0.81 MMP13 (0.49) GAARAB9AMMP13MAOAMAOB
SCHEMBL8208991 0.81 NPC1 (0.41) RAB9AMAOAMAOBKMT2AKDM1A
SCHEMBL8213082 0.80 MEN1 (0.44) POLBKMT2ATSHRSMN1; SMN2CA1
SCHEMBL8212956 0.78 MMP13 (0.42) POLBMMP1MMP13MAOBKMT2A
SCHEMBL8208997 0.78 MAOB (0.42) POLBRAB9AMAOAMAOBPARP10
SCHEMBL8211587 0.77 S1PR1 (0.42) MAOAMAOBKMT2AKDM1AMEN1

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-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
JP-2000143625-A 5-OXOPYRROLIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE DERIVATIVE PFIZER PROD INC 2000-05-26 JP disclosed