SCHEMBL18504408

SCHEMBL18504408

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL18504400 0.92 ALDH1A1 (0.41) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL18504947 0.89 RORC (0.38) TP53KDM4EMAPTTSHRMRGPRX4
SCHEMBL22563965 0.88 HSD17B10 (0.42) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL18504973 0.86 PDK2 (0.36) KDM4EMAPTL3MBTL1PDK2NPC1
SCHEMBL18504663 0.86 ALDH1A1 (0.44) HSD17B10TP53KDM4ETSHRALDH1A1
SCHEMBL18504604 0.85 GABRA5 (0.39) MRGPRX4GABRA5
SCHEMBL18504238 0.85 TSHR (0.43) HSD17B10KDM4EMAPTTSHRALDH1A1
SCHEMBL18504672 0.85 SCN9A (0.41) TP53KDM4EMAPTTSHRALDH1A1
SCHEMBL18504660 0.85 TSHR (0.36) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL18504415 0.84 TSHR (0.42) HSD17B10KDM4ETSHRALDH1A1HPGD

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