SCHEMBL11211234

SCHEMBL11211234

CCOCCN1C(=O)c2cccc3cccc1c23

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CASP1 P29466 1/20 0.66
MPI P34949 1/20 0.66
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
HTR7 P34969 4/20 0.55
HTR1A P08908 3/20 0.55
DRD2 P14416 3/20 0.55
HTR2A P28223 3/20 0.55
HTR6 P50406 3/20 0.55
CYP1B1 Q16678 1/20 0.54
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.50
UBE2N P61088 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL9290368 0.85 HPGD (0.65) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL7131251 0.81 ALDH1A1 (0.71) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL9720971 0.80 HPGD (0.70) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL6270684 0.80 ALDH1A1 (1.00) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL29437299 0.80 ALDH1A1 (1.00) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL9720875 0.78 ALDH1A1 (0.68) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL21477330 0.78 TERT (0.53) HPGDALDH1A1SMN1; SMN2CYP1B1KDM4E
SCHEMBL10767984 0.78 HPGD (0.58) HPGDSMN1; SMN2L3MBTL1
SCHEMBL7071975 0.77 ALDH1A1 (0.66) HPGDALDH1A1CASP1MPICACNA1B
SCHEMBL9290383 0.77 HEXA (0.78) HPGDALDH1A1CASP1MPICACNA1B

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
US-4332937-A DYES FOR POLYACRYLONITRILE CIBA-GEIGY CORPORATION (US) 1982-06-01 US disclosed