SCHEMBL18504947

SCHEMBL18504947

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
RBP4 P02753 1/20 0.37
CFTR P13569 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
GABRA5 P31644 1/20 0.36
POLB P06746 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
GNRHR P30968 1/20 0.34
CTSS P25774 1/20 0.34
KCNK3 O14649 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
SCHEMBL18504408 0.89 HSD17B10 (0.43) MRGPRX4GABRA5TP53TSHRKDM4E
SCHEMBL18504973 0.88 PDK2 (0.36) GABRA5POLBSTIM1ORAI1KDM4E
SCHEMBL22564481 0.88 RORC (0.38) RORCRBP4CFTRMRGPRX4GABRA5
SCHEMBL18504604 0.87 GABRA5 (0.39) RORCRBP4MRGPRX4GABRA5STIM1
SCHEMBL18504400 0.87 ALDH1A1 (0.41) GABRA5TP53TSHRKDM4ETDP1
SCHEMBL18504784 0.87 LMNA (0.46) GABRA5POLBTP53STIM1ORAI1
SCHEMBL18504416 0.86 AURKA (0.37) STIM1ORAI1KDM4E
SCHEMBL18504494 0.86 STIM1 (0.34) RBP4MRGPRX4GABRA5POLBSTIM1
SCHEMBL18504372 0.86 STIM1 (0.34) RORCRBP4MRGPRX4GABRA5POLB
SCHEMBL18504440 0.86 STIM1 (0.36) MRGPRX4GABRA5POLBTP53STIM1

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