SCHEMBL28024484

SCHEMBL28024484

CON=C(c1ccc(OCc2c(Cc3ccc(C(=O)O)cc3C(=O)O)cccc2C2CC2)c(C)c1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.36
NR1H4 Q96RI1 4/20 0.36
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL28024495 0.92 MRGPRX4 (0.38) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28097578 0.90 NR1H4 (0.42) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024547 0.89 MRGPRX4 (0.38) MRGPRX4NR1H4CYP2C9HIF1A
SCHEMBL28821024 0.88 PPARG (0.40) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28020693 0.87 MRGPRX4 (0.39) MRGPRX4NR1H4
SCHEMBL28024059 0.84 HIF1A (0.38) MRGPRX4NR1H4HIF1A
SCHEMBL28024044 0.79 MRGPRX4 (0.41) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024501 0.78 MRGPRX4 (0.42) MRGPRX4NR1H4HIF1A
SCHEMBL28024498 0.78 MRGPRX4 (0.40) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024039 0.77 MRGPRX4 (0.42) MRGPRX4PPARACYP2C9HIF1A

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
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed