SCHEMBL18504941

SCHEMBL18504941

Cc1cccc(C(=O)O)c1COc1ccn(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NR1H4 Q96RI1 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
APEX1 P27695 1/20 0.36
MYC P01106 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
FFAR1 O14842 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
PTGER1 P34995 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL18504397 0.89 CD38 (0.37) SLC22A12SGMS2FFAR1CYP3A4CYP2C9
SCHEMBL18504676 0.89 SGMS2 (0.35) KDM4EALDH1A1HSD17B10NR1H4SLC22A12
SCHEMBL18504720 0.89 SLC22A12 (0.36) HSD17B10NR1H4SLC22A12SGMS2FFAR1
SCHEMBL18500066 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MYCSGMS2PPARG
SCHEMBL18504821 0.86 HDAC3 (0.41) KDM4EALDH1A1SLC22A12SGMS2FFAR1
SCHEMBL18504567 0.86 SGMS2 (0.39) KDM4EALDH1A1NR1H4SLC22A12SGMS2
SCHEMBL18504238 0.86 TSHR (0.43) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL18500579 0.86 MRGPRX4 (0.39) ALDH1A1NR1H4APEX1MRGPRX4
SCHEMBL22563910 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10NR1H4
SCHEMBL18504789 0.85 SGMS2 (0.38) KDM4EALDH1A1NR1H4SLC22A12SGMS2

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