SCHEMBL1503535

SCHEMBL1503535

COCCOCOc1ccc(C(=O)NC(C)C(C(=O)O)N2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
ASAH2 Q9NR71 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 1/20 0.39
ADAM17 P78536 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL1503648 0.81 ADAM17 (0.59) TP53NPSR1KDM4EADAM17KMT2A
SCHEMBL10475842 0.80 ADAM17 (0.55) TP53KDM4ELMNAADAM17
SCHEMBL10475882 0.80 ADAM17 (0.55) TP53KDM4ELMNAADAM17
SCHEMBL1503521 0.78 ALDH1A1 (0.47) TP53KDM4EMEN1KMT2A
SCHEMBL1503632 0.76 ADAM17 (0.63) HRH3ADAM17MEN1KMT2A
SCHEMBL1503675 0.76 ADAM17 (0.55) TP53LMNAADAM17
SCHEMBL1503620 0.76 ADAM17 (0.55) TP53LMNAADAM17
SCHEMBL1503525 0.74 ADAM17 (0.66) ADAM17
SCHEMBL1503522 0.74 ADAM17 (0.65) TP53ADAM17
SCHEMBL1503623 0.71 ALDH1A1 (0.46) TP53HRH3KDM4ECTNNB1ADAM17

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