SCHEMBL9712154

SCHEMBL9712154

CNc1ccc(OC)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
ALOX5 P09917 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
APP P05067 2/20 0.32
FTO Q9C0B1 2/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10771973 0.87 CYP3A4 (0.36) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL9557864 0.82 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL10703894 0.80 MAPT (0.44) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL9712153 0.80 GRK6 (0.40) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL9850159 0.79 CYP3A4 (0.39) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL9562281 0.78 BRCA1 (0.36) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL658739 0.78 CYP3A4 (0.40) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL10358710 0.77 CYP3A4 (0.45) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL5532838 0.74 NPC1 (0.44) ALDH1A1HPGDHSD17B10CYP2C9ALOX15
SCHEMBL10358541 0.74 MAPT (0.45) ALDH1A1HPGDHSD17B10CYP2C9ALOX15

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
WO-1992018336-A1 HEAT-SENSITIVE RECORDING MATERIAL WITH PIGMENTED PROTECTIVE LAYER RENKER GMBH & CO. KG (DE) 1992-10-29 WO disclosed
WO-1992018338-A1 HEAT-SENSITIVE RECORDING MATERIAL IN THE FORM OF A MULTI-LAYER COMPOSITE RENKER GMBH & CO. KG (DE) 1992-10-29 WO disclosed