SCHEMBL1503650

SCHEMBL1503650

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.43
CTNNB1 P35222 1/20 0.43
NAMPT P43490 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1503623 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ACTNNB1POLBRAB9A
SCHEMBL1504825 0.88 ALDH1A1 (0.45) ALDH1A1KMT2ACTNNB1POLBRAB9A
SCHEMBL1504784 0.85 ADAM17 (0.43) ALDH1A1POLBTP53
SCHEMBL1504823 0.83 ALDH1A1 (0.41) ALDH1A1TSHRPKMCTNNB1POLB
SCHEMBL1503540 0.81 ALDH1A1 (0.53) ALDH1A1TSHRPKMKMT2ANAMPT
SCHEMBL1503561 0.80 ADAM17 (0.58) ALDH1A1PKMKMT2AL3MBTL1
SCHEMBL10475892 0.77 ADAM17 (0.53) ALDH1A1TSHRKMT2ACTNNB1TP53
SCHEMBL10475894 0.77 ADAM17 (0.53) ALDH1A1TSHRKMT2ACTNNB1TP53
SCHEMBL1503541 0.75 ADAM17 (0.53) ALDH1A1TSHRKMT2ACTNNB1TP53
SCHEMBL1503642 0.75 ADAM17 (0.53) ALDH1A1TSHRKMT2ACTNNB1TP53

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