SCHEMBL6652999

SCHEMBL6652999

CCN(CC)c1ccc(Nc2ccccc2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
EGFR P00533 2/20 0.32
SRC P12931 1/20 0.30
PGR P06401 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10387584 0.93 EGFR (0.41) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9442975 0.88 CYP3A4 (0.37) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL10596233 0.88 EGFR (0.35) ALDH1A1HPGDCYP3A4EGFRNPSR1
SCHEMBL10447181 0.87 PGR (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL4379777 0.86 CYP3A4 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6872095 0.86 CYP3A4 (0.33) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL2841971 0.85 CYP3A4 (0.41) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL10591631 0.83 ALOX5 (0.40) ALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL3974160 0.83 ALDH1A1 (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL10706750 0.83 EGFR (0.40) ALDH1A1CYP2C9HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424918-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2004-06-09 EP claimed
WO-2003024267-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2003-03-27 WO claimed
EP-1424918-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2004-06-09 EP disclosed
WO-2003024267-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2003-03-27 WO disclosed