SCHEMBL1503631

SCHEMBL1503631

COC(=O)[C@H](CNC(=O)c1ccc(O)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.52
ADAM10 O14672 2/20 0.51
MMP3 P08254 1/20 0.51
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 4/20 0.47
SLC6A4 P31645 1/20 0.47
MAPT P10636 1/20 0.47
MMP1 P03956 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1503633 1.00 ADAM17 (0.52) ADAM17ADAM10MMP3SLC6A2SLC6A3
SCHEMBL1503533 0.88 TP53 (0.53) ADAM17LMNATP53MAPTALDH1A1
SCHEMBL1503539 0.88 TP53 (0.53) ADAM17LMNATP53MAPTALDH1A1
SCHEMBL10475831 0.85 ADAM17 (0.51) ADAM17ADAM10MMP3SLC6A2SLC6A3
SCHEMBL10475888 0.85 ADAM17 (0.51) ADAM17ADAM10MMP3SLC6A2SLC6A3
SCHEMBL1504948 0.84 ADAM17 (0.66) ADAM17ADAM10MMP3MAPTMMP1
SCHEMBL1504679 0.84 ADAM17 (0.66) ADAM17ADAM10MMP3MAPTMMP1
SCHEMBL1503675 0.82 ADAM17 (0.55) ADAM17ADAM10MMP3LMNATP53
SCHEMBL1503620 0.82 ADAM17 (0.55) ADAM17ADAM10MMP3LMNATP53
SCHEMBL1503641 0.81 ADAM17 (0.79) ADAM17ADAM10MMP3LMNATP53

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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed