SCHEMBL18504989

SCHEMBL18504989

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SCN9A Q15858 4/20 0.33
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
KCNK3 O14649 3/20 0.32
KCNK9 Q9NPC2 3/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
F2R P25116 1/20 0.31
P2RX7 Q99572 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL18504652 0.90 RXRA (0.39) RXRARXRBRXRGSCN9AHCRTR1
SCHEMBL18504727 0.89 SCN9A (0.41) RXRARXRBRXRGSCN9ASCN10A
SCHEMBL18504763 0.89 RXRA (0.36) RXRARXRBRXRGSCN9AHCRTR1
SCHEMBL18504801 0.88 KCNK3 (0.35) RXRARXRBRXRGSCN9AHCRTR1
SCHEMBL22564344 0.88 RXRA (0.33) RXRARXRBRXRGSCN9AHCRTR1
SCHEMBL18504661 0.87 HDAC1 (0.40) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL18504239 0.87 KCNK3 (0.37) HCRTR1HCRTR2KCNK3KCNK9F2R
SCHEMBL18504730 0.86 NR1H4 (0.30)
SCHEMBL18504672 0.85 SCN9A (0.41) SCN9AHCRTR1HCRTR2
SCHEMBL18504485 0.85 CTSD (0.36) RXFP1

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