SCHEMBL18504645

SCHEMBL18504645

COC(=O)c1cccc(C(C)C)c1COc1ccn(O)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
NR1H4 Q96RI1 3/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18504297 0.90 NPC1 (0.36) KDM4EKMT2AALDH1A1POLBNR1H4
SCHEMBL18504522 0.90 KDM4E (0.36) KDM4EKMT2AGAAATMALDH1A1
SCHEMBL18504647 0.89 TSHR (0.40) KDM4EALDH1A1TDP1
SCHEMBL18500393 0.88 NR1H4 (0.41) NR1H4GABRA1GABRG2GABRB3
SCHEMBL18504464 0.88 NR1H4 (0.35) KMT2AGAANR1H4GABRA1GABRG2
SCHEMBL22564477 0.88 KDM4E (0.38) KDM4EKMT2AGAAATMALDH1A1
SCHEMBL18504773 0.88 NR1H4 (0.36) KMT2AGAANR1H4GABRA1GABRG2
SCHEMBL18504533 0.87 NR1H4 (0.35) KDM4EKMT2ANR1H4GABRA1GABRG2
SCHEMBL18504708 0.87 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3
SCHEMBL18504998 0.87 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3

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