SCHEMBL18831773

SCHEMBL18831773

Cc1cc(O)ccc1OCc1c(C(F)F)cccc1N(N)C(=O)N(C)N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.34
PPARA Q07869 1/20 0.33
CD274 Q9NZQ7 2/20 0.32
FFAR4 Q5NUL3 4/20 0.31
SLC22A12 Q96S37 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 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
SCHEMBL20686655 0.90 MRGPRX4 (0.37) MRGPRX4FFAR1
SCHEMBL18831778 0.89 SLC22A12 (0.33) MRGPRX4SLC22A12
SCHEMBL18831574 0.89 PDCD1 (0.32) CD274
SCHEMBL18831565 0.87 SLC22A12 (0.39) MRGPRX4PPARACD274FFAR4SLC22A12
SCHEMBL20686638 0.87 MRGPRX4 (0.33) MRGPRX4PPARACD274FFAR4SLC22A12
SCHEMBL21317952 0.84 CD274 (0.36) MRGPRX4CD274FFAR4SLC22A12FFAR1
SCHEMBL18831775 0.84 FFAR4 (0.38) MRGPRX4PPARAFFAR4SLC22A12ESR1
SCHEMBL18831638 0.84 MRGPRX4 (0.39) MRGPRX4FFAR4ESR1POLBESR2
SCHEMBL20686769 0.83 MRGPRX4 (0.35) MRGPRX4PPARACD274FFAR4FFAR1
SCHEMBL20686669 0.82 MAPT (0.36) MRGPRX4PPARACD274FFAR4SLC22A12

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
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed