SCHEMBL9057937

SCHEMBL9057937

CC(C(=O)O)N(C(=O)OC(C)(C)C)c1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
ALOX5 P09917 3/20 0.40
CYP1A2 P05177 2/20 0.40
PTGES O14684 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ALOX5AP P20292 1/20 0.40
LOX P28300 1/20 0.40
EPHX2 P34913 1/20 0.40
PTGS2 P35354 1/20 0.40
LTB4R Q15722 1/20 0.40
BCL2L1 Q07817 1/20 0.39
PAX8 Q06710 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 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
SCHEMBL5017821 1.00 MMP13 (0.40) MMP13ALOX5CYP1A2PTGESLMNA
SCHEMBL31142511 0.79 PAX8 (0.42) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10980421 0.78 BCL2L1 (0.39) MMP13ALOX5CYP1A2PTGESLMNA
SCHEMBL2190242 0.77 AKR1B1 (0.39) CYP1A2LMNAGAA
SCHEMBL995191 0.77 MEN1 (0.43) MMP13PAX8
SCHEMBL1325515 0.77 MEN1 (0.43) MMP13PAX8
SCHEMBL1325516 0.77 MEN1 (0.43) MMP13PAX8
SCHEMBL2190244 0.77 AKR1B1 (0.39) CYP1A2LMNAGAA
SCHEMBL9382586 0.77 SMN1; SMN2 (0.41) MMP13CYP1A2LMNA
SCHEMBL642839 0.77 SMN1; SMN2 (0.41) MMP13CYP1A2LMNA

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-1996022305-A2 MODIFIED PEPTIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO disclosed