SCHEMBL1503536

SCHEMBL1503536

CC(NC(=O)c1ccc(O)cc1)C(C(=O)O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.47
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1503521 0.87 ALDH1A1 (0.47) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL1504682 0.81 ADAM17 (0.41) KMT2AMAPTSMN1; SMN2POLBKDM4E
SCHEMBL2680363 0.78 LMNA (0.49) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL1504817 0.77 ALDH1A1 (0.44) TSHRSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10475931 0.73 ADAM17 (0.53) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL10475932 0.73 ADAM17 (0.53) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL28644461 0.70 SMN1; SMN2 (0.58) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL1503616 0.69 CTSK (0.45) KMT2AMAPTTSHRSMN1; SMN2KDM4E
SCHEMBL24550972 0.69 RAB9A (0.58) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL18289780 0.69 RAB9A (0.58) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1

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