SCHEMBL6535472

SCHEMBL6535472

CCN(CC)c1cc(C)c(Nc2cccc(C)c2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 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
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
MAPT P10636 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKCB P05771 1/20 0.32
ADORA2A P29274 1/20 0.31

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
SCHEMBL6535277 0.93 ALDH1A1 (0.38) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL9009110 0.91 ALDH1A1 (0.32) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL5684606 0.88 RAPGEF4 (0.43) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL7774002 0.88 ALDH1A1 (0.34) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL5153740 0.88 RAPGEF4 (0.36) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL15056135 0.85 HPGD (0.37) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL5681921 0.85 ALDH1A1 (0.34) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL10772026 0.84 ALDH1A1 (0.34) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL4750113 0.84 ALDH1A1 (0.36) ALDH1A1HPGDCYP2C9ALOX15ALOX12
SCHEMBL6882234 0.84 HPGD (0.34) ALDH1A1HPGDCYP2C9ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161504-A4 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION ESCO COMPANY (US) 2004-12-01 EP claimed
EP-1161504-A1 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION Esco Company (US) 2001-12-12 EP claimed
WO-2000049096-A1 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION ESCO COMPANY (US) 2000-08-24 WO claimed