SCHEMBL784644

SCHEMBL784644

O=C(OC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.35
PPARA Q07869 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 2/20 0.34
HPGD P15428 2/20 0.33
KCNN4 O15554 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP10 Q53GL7 1/20 0.32
SRC P12931 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
SCHEMBL784065 0.81 CES1 (0.41) CYP1A2ALDH1A1ALOX15CYP2C19HSD17B10
SCHEMBL784043 0.76 ELANE (0.41) CYP1A2MEN1KMT2AALDH1A1ALOX15
SCHEMBL987567 0.75 ELANE (0.47) CYP1A2MEN1KMT2AALDH1A1ALOX15
SCHEMBL784690 0.74 LMNA (0.50) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL783624 0.72 ATM (0.38) CYP1A2MEN1KMT2AALDH1A1ALOX15
SCHEMBL784411 0.72 ELANE (0.45) KMT2AALDH1A1ALOX15PPARAMAPT
SCHEMBL692135 0.71 CYP1A2 (0.46) CYP1A2MEN1KMT2AALDH1A1ALOX15
SCHEMBL8584192 0.71 CYP1A2 (0.41) CYP1A2MEN1KMT2AALDH1A1ALOX15
SCHEMBL7089314 0.71 LTA4H (0.50) ALDH1A1ALOX15L3MBTL1TDP1SRC
SCHEMBL7575323 0.71 PPARA (0.38) CYP1A2MEN1KMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed