SCHEMBL9786540

SCHEMBL9786540

CC(C)=C1CC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.53
▸ TLR9 Q9NR96 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MT-CO2 P00403 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 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
SCHEMBL10824589 0.83 MEN1 (0.50) GAATLR9ALDH1A1MEN1KMT2A
SCHEMBL22728275 0.75 GAA (0.53) GAATLR9PKMHPGDALDH1A1
SCHEMBL12081988 0.74 MEN1 (0.64) GAATLR9PKMHPGDALDH1A1
SCHEMBL22580612 0.74 MEN1 (0.64) GAATLR9PKMHPGDALDH1A1
SCHEMBL9655371 0.73 ALDH1A1 (0.40) GAAPKMHPGDALDH1A1MEN1
SCHEMBL9655384 0.72 ALDH1A1 (0.42) GAAPKMHPGDALDH1A1MEN1
SCHEMBL225820 0.72 GAA (0.58) GAATLR9PKMHPGDALDH1A1
SCHEMBL11043255 0.71 GAA (0.49) GAATLR9PKMHPGDALDH1A1
SCHEMBL28650531 0.70 KDM4E (0.65) GAATLR9PKMHPGDALDH1A1
SCHEMBL437784 0.70 HPGD (0.59) GAATLR9PKMHPGDALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992347-A Marking COURTAULDS PLC (GB) 1991-02-12 — — US disclosed
EP-0301057-A1 Forming a permanent image in a layer COURTAULDS PLC (GB) 1989-02-01 — — EP disclosed
WO-1988006306-A1 MARKING COURTAULDS PLC (GB) 1988-08-25 — — WO disclosed
EP-0279600-A1 Marking COURTAULDS PLC (GB) 1988-08-24 — — EP disclosed
US-4220708-A Photochromic compounds GEC-MARONI LIMITED (GB) 1980-09-02 — — US disclosed
Send feedback