SCHEMBL18504422

SCHEMBL18504422

CCOC(=O)c1cccc(OC(F)F)c1COc1ccn(O)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 5/20 0.35
JMJD6 Q6NYC1 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GABRA5 P31644 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL18504424 0.92 ALDH1A1 (0.40) TBXAS1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL18504411 0.91 MAPT (0.41) TBXAS1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL18504241 0.90 KLKB1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL22563984 0.89 TBXAS1 (0.37) TBXAS1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL18504253 0.88 TSHR (0.41) TBXAS1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL18504977 0.88 LMNA (0.35) SMN1; SMN2TSHRALDH1A1LMNAHCRTR1
SCHEMBL18504666 0.88 TBXAS1 (0.39) TBXAS1TSHRALDH1A1LMNAJMJD6
SCHEMBL18504246 0.87 KMT2A (0.42) TBXAS1TSHRLMNAKDM4EMAPT
SCHEMBL18504924 0.86 TAS2R14 (0.36) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL18504672 0.86 SCN9A (0.41) TBXAS1TSHRALDH1A1LMNAJMJD6

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