SCHEMBL4667092

SCHEMBL4667092

Cc1cc(C(C)C)c2c(c1Nc1ccccc1)C1(OC2=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 2/20 0.39
BRCA1 P38398 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PAX8 Q06710 1/20 0.37
HIF1A Q16665 1/20 0.37
DHFR P00374 1/20 0.35
FTO Q9C0B1 4/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL10885589 0.86 HPGD (0.40) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL2185607 0.85 ALDH1A1 (0.41) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL6537056 0.84 HPGD (0.40) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL6535277 0.83 ALDH1A1 (0.38) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL11003355 0.82 HPGD (0.39) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL6438083 0.82 HPGD (0.39) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL15056135 0.82 HPGD (0.37) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL4077129 0.81 ALDH1A1 (0.35) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL9565549 0.81 HPGD (0.38) CYP2C9ALOX15HPGDALDH1A1ALOX12
SCHEMBL4750113 0.80 ALDH1A1 (0.36) CYP2C9ALOX15HPGDALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934561-A1 IMPROVED TIME/TEMPERATURE INDICATORS Sun Chemical Corporation (US) 2008-06-25 EP disclosed
WO-2007035365-A1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2007-03-29 WO disclosed