SCHEMBL18504352

SCHEMBL18504352

CCCc1cccc(C(=O)Cl)c1COc1ccn(O)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
DAO P14920 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HCRTR2 O43614 2/20 0.31
HCRTR1 O43613 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL18504348 0.93 NR1H4 (0.33) NR1H4
SCHEMBL18504208 0.89 MRGPRX4 (0.36) LTB4RLTB4R2NR1H4
SCHEMBL22563906 0.89 LTB4R (0.32) LTB4RLTB4R2NR1H4ADORA3ADORA2A
SCHEMBL18504398 0.88 LTB4R (0.33) LTB4RLTB4R2NR1H4DAOHCRTR2
SCHEMBL18504766 0.88 MEN1 (0.35) LTB4RLTB4R2DAO
SCHEMBL18505015 0.88 ADORA3 (0.32) LTB4RLTB4R2NR1H4DAOADORA3
SCHEMBL18504234 0.87 ALDH1A1 (0.38)
SCHEMBL18504338 0.87 NR1H4 (0.31) NR1H4
SCHEMBL18504834 0.86 LTB4R (0.32) LTB4RLTB4R2NR1H4DAOADORA3
SCHEMBL18504214 0.86 TSHR (0.40)

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