SCHEMBL18504604

SCHEMBL18504604

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.39
RBP4 P02753 3/20 0.38
DHODH Q02127 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.36
FABP4 P15090 2/20 0.36
RORC P51449 3/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TTR P02766 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL18504416 0.89 AURKA (0.37) STIM1ORAI1
SCHEMBL18504494 0.89 STIM1 (0.34) GABRA5RBP4MRGPRX4TAS2R14RXRA
SCHEMBL18504372 0.89 STIM1 (0.34) GABRA5RBP4MRGPRX4RORCRXRA
SCHEMBL18504947 0.87 RORC (0.38) GABRA5RBP4MRGPRX4RORCSTIM1
SCHEMBL18504784 0.87 LMNA (0.46) GABRA5HDAC6STIM1ORAI1
SCHEMBL22564480 0.87 GABRA5 (0.39) GABRA5RBP4DHODHHDAC6MRGPRX4
SCHEMBL18504440 0.86 STIM1 (0.36) GABRA5MRGPRX4STIM1ORAI1
SCHEMBL18504408 0.85 HSD17B10 (0.43) GABRA5MRGPRX4
SCHEMBL18504973 0.85 PDK2 (0.36) GABRA5STIM1ORAI1NR1H4
SCHEMBL18504990 0.85 STIM1 (0.31) GABRA5MRGPRX4STIM1ORAI1

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