SCHEMBL1503539

SCHEMBL1503539

COC(=O)C(CNC(=O)c1ccc(O)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
ADAM17 P78536 2/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 3/20 0.49
THRB P10828 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 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
SCHEMBL1503533 1.00 TP53 (0.53) TP53ADAM17MAPTLMNAATM
SCHEMBL1503633 0.88 ADAM17 (0.52) TP53ADAM17MAPTLMNAKMT2A
SCHEMBL1503631 0.88 ADAM17 (0.52) TP53ADAM17MAPTLMNAKMT2A
SCHEMBL10475931 0.86 ADAM17 (0.53) TP53ADAM17MAPTLMNAATM
SCHEMBL10475932 0.86 ADAM17 (0.53) TP53ADAM17MAPTLMNAATM
SCHEMBL1503642 0.82 ADAM17 (0.53) TP53ADAM17MAPTLMNAATM
SCHEMBL1503541 0.82 ADAM17 (0.53) TP53ADAM17MAPTLMNAATM
SCHEMBL1504948 0.82 ADAM17 (0.66) ADAM17MAPTKMT2A
SCHEMBL1504679 0.82 ADAM17 (0.66) ADAM17MAPTKMT2A
SCHEMBL1503546 0.82 ADAM17 (0.79) TP53ADAM17MAPTLMNAATM

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