SCHEMBL9325503

SCHEMBL9325503

C=CCc1cn(CC=C)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.42
CNR2 P34972 6/20 0.40
CNR1 P21554 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ALOX5 P09917 1/20 0.38
HTR6 P50406 3/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
HTR7 P34969 1/20 0.34
ICMT O60725 3/20 0.34
NQO2 P16083 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL6111306 0.77 ALOX5 (0.49) ALOX5HTR6ICMTPOLB
SCHEMBL11346807 0.76 TBXAS1 (0.52) POLB
SCHEMBL11825251 0.73 MAPT (0.47) POLB
SCHEMBL15374348 0.71 SCN9A (0.54) CNR2CNR1ICMT
SCHEMBL28010974 0.68 CNR2 (0.43) PLA2G2ACNR2CNR1
SCHEMBL4446113 0.68 GABRA1 (0.50) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL2503422 0.67 GABRA1 (0.46) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL29092494 0.67 ALDH1A1 (0.48) PLA2G2AHTR6ICMTPOLB
SCHEMBL1520654 0.67 ALOX5 (0.52) ALOX5HTR6ICMTPOLB
SCHEMBL28672344 0.67 HTR6 (0.46) PLA2G2AHTR6HTR1AHTR1DHTR1B

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-0582977-A1 Process for the preparation of 1,3-dialkyl-5-hydroxyoxindoles and of their ether derivatives BOEHRINGER INGELHEIM KG (DE) 1994-02-16 EP disclosed