SCHEMBL9372003

SCHEMBL9372003

COc1ccc(C2=C(O)CN(c3ccccc3)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.61
PTGS2 P35354 5/20 0.61
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 2/20 0.49
PPARG P37231 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL9367013 0.87 POLB (0.50) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL9370537 0.85 POLB (0.61) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL9367490 0.85 POLB (0.65) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL14516168 0.83 PTGS1 (0.80) PTGS1PTGS2NPC1PKMRAB9A
SCHEMBL9367598 0.82 PTGS1 (0.57) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL9367737 0.82 GSTP1 (0.48) PTGS1PTGS2MAPTRAB9APOLB
SCHEMBL9369861 0.81 POLB (0.53) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL14497481 0.80 PTGS1 (0.74) PTGS1PTGS2NPC1PKMRAB9A
SCHEMBL9371933 0.79 POLB (0.42) PTGS1PTGS2ALDH1A1MAPTNPSR1
SCHEMBL9371990 0.79 POLB (0.47) PTGS1PTGS2ALDH1A1MAPTNPSR1

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
EP-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed