SCHEMBL18504672

SCHEMBL18504672

CCOC(=O)c1cccc(OC(F)(F)F)c1COc1ccn(O)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
TBXAS1 P24557 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ELANE P08246 2/20 0.36
TP53 P04637 1/20 0.35
PDK2 Q15119 1/20 0.35
GAA P10253 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GABRA5 P31644 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 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
SCHEMBL18504662 0.92 ALDH1A1 (0.40) SCN9ATBXAS1ALDH1A1MAPTTSHR
SCHEMBL18504239 0.90 KCNK3 (0.37) ALDH1A1MAPTKDM4EMRGPRX4TP53
SCHEMBL22564302 0.89 SCN9A (0.40) SCN9ATBXAS1ALDH1A1MAPTKDM4E
SCHEMBL18504253 0.88 TSHR (0.41) TBXAS1ALDH1A1KDM4ETSHRTP53
SCHEMBL18504666 0.88 TBXAS1 (0.39) TBXAS1ALDH1A1KDM4ETSHRTP53
SCHEMBL18504246 0.87 KMT2A (0.42) TBXAS1MAPTKDM4ETSHRLMNA
SCHEMBL18504974 0.87 KCNK3 (0.36) SCN9AMAPTKDM4EPDK2HCRTR1
SCHEMBL18504652 0.86 RXRA (0.39) SCN9AALDH1A1MRGPRX4HCRTR1HCRTR2
SCHEMBL18504422 0.86 TBXAS1 (0.38) TBXAS1ALDH1A1MAPTKDM4EHPGD
SCHEMBL18504408 0.85 HSD17B10 (0.43) ALDH1A1MAPTKDM4EHPGDTSHR

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed