SCHEMBL29964798

SCHEMBL29964798

O=Cc1cccc(C2=CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.43
PIK3CD O00329 6/20 0.42
PIK3CA P42336 6/20 0.42
PRKDC P78527 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
BRD4 O60885 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK14 Q16539 7/20 0.38
PIK3CB P42338 4/20 0.37
PIK3CG P48736 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1D P28221 1/20 0.36
CSNK1E P49674 2/20 0.36
CSNK1D P48730 1/20 0.35
PIK3R1 P27986 2/20 0.35

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
SCHEMBL21309666 0.82 HTR1D (0.37) FABP7PIK3CDPIK3CABRD4MAPK14
SCHEMBL30072245 0.76 FABP7 (0.45) FABP7PIK3CDPIK3CAMAPK14PIK3CB
SCHEMBL1570328 0.76 FABP7 (0.45) FABP7PIK3CDPIK3CAMAPK14PIK3CB
SCHEMBL4175163 0.76 ACMSD (0.43) PRKDCTRIM24TRIM33BRD4CA12
SCHEMBL932928 0.76 PIK3CD (0.45) FABP7PIK3CDPIK3CAMAPK14PIK3CB
SCHEMBL18857842 0.75 MAPK14 (0.47) FABP7PIK3CDPIK3CAMAPK14PIK3CB
SCHEMBL31705648 0.74 FABP7 (0.53) FABP7PIK3CDPIK3CAPRKDCALDH1A1
SCHEMBL3107969 0.74 FABP7 (0.53) FABP7PIK3CDPIK3CAPRKDCALDH1A1
SCHEMBL24680921 0.73 HTR1D (0.38) FABP7PIK3CDPIK3CABRD4MAPK14
SCHEMBL22832713 0.73 MAPK14 (0.50) FABP7MAPK14ALDH1A1

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-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed