SCHEMBL1503541

SCHEMBL1503541

COCCOCOc1ccc(C(=O)NC[C@@H](C(=O)OC)N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.53
TP53 P04637 2/20 0.52
ATM Q13315 2/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.44
CTNNB1 P35222 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL1503642 1.00 ADAM17 (0.53) ADAM17TP53ATMLMNAMAPT
SCHEMBL10475892 0.92 ADAM17 (0.53) ADAM17TP53ATMLMNAMAPT
SCHEMBL10475894 0.92 ADAM17 (0.53) ADAM17TP53ATMLMNAMAPT
SCHEMBL1503620 0.90 ADAM17 (0.55) ADAM17TP53LMNAMAPTALDH1A1
SCHEMBL1503675 0.90 ADAM17 (0.55) ADAM17TP53LMNAMAPTALDH1A1
SCHEMBL1504730 0.88 ADAM17 (0.44) ADAM17TP53ALDH1A1CTNNB1
SCHEMBL1504686 0.85 ADAM17 (0.62) ADAM17ALDH1A1
SCHEMBL1504782 0.85 ADAM17 (0.62) ADAM17ALDH1A1
SCHEMBL1504822 0.84 ADAM17 (0.51) ADAM17TP53
SCHEMBL1503533 0.82 TP53 (0.53) ADAM17TP53ATMLMNAMAPT

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