SCHEMBL6882234

SCHEMBL6882234

CCN(CC)c1cc(C)c(Nc2ccccc2F)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
BRCA1 P38398 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 1/20 0.30
KMT2A Q03164 1/20 0.30
PRMT1 Q99873 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
FTO Q9C0B1 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
SCHEMBL5153740 0.87 RAPGEF4 (0.36) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL6535277 0.86 ALDH1A1 (0.38) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL6872095 0.84 CYP3A4 (0.33) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL6535472 0.84 ALDH1A1 (0.34) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL7774002 0.83 ALDH1A1 (0.34) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL8977198 0.83 ALDH1A1 (0.39) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL5684606 0.82 RAPGEF4 (0.43) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10640455 0.81 RAPGEF4 (0.35) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL9651405 0.81 CYP3A4 (0.40) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10700463 0.80 HPGD (0.36) HPGDALDH1A1CYP2C9ALOX15ALOX12

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-2794558-A1 HEAT SENSITIVE COATING COMPOSITION BASF SE (DE) 2014-10-29 EP disclosed
WO-2013093755-A1 HEAT SENSITIVE COATING COMPOSITION BASF SE (DE) 2013-06-27 WO disclosed
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed