SCHEMBL784065

SCHEMBL784065

O=C(OC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
ALOX15 P16050 1/20 0.35
MAOB P27338 1/20 0.35
MLYCD O95822 1/20 0.35
EPHX2 P34913 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL784644 0.81 CYP1A2 (0.41) ALOX15CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL784043 0.76 ELANE (0.41) ALOX15CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL783624 0.76 ATM (0.38) HDAC1HDAC2ALOX15CYP1A2CYP2C19
SCHEMBL1255890 0.75 ELANE (0.47) CES1HDAC1HDAC2ALOX15MAOB
SCHEMBL784690 0.74 LMNA (0.50) CYP1A2CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL10946374 0.74 ELANE (0.46) CES1HDAC1HDAC2ALOX15MAOB
SCHEMBL10857550 0.72 KCNN4 (0.44) CES1CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL8827475 0.72 CES1 (0.43) CES1HDAC1HDAC2ALOX15MAOB
SCHEMBL784411 0.72 ELANE (0.45) CES1ALOX15CYP2C19ALDH1A1
SCHEMBL17674534 0.71 SSTR4 (0.43) CES1HDAC1HDAC2ALOX15MAOB

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