SCHEMBL28024495

SCHEMBL28024495

CON=C(c1ccc(OCc2c(C)cccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL28821024 0.96 PPARG (0.40) MRGPRX4PPARGPPARDPPARACYP2C9
SCHEMBL28024484 0.92 MRGPRX4 (0.36) MRGPRX4PPARGPPARDPPARACYP2C9
SCHEMBL28024044 0.87 MRGPRX4 (0.41) MRGPRX4PPARGPPARDPPARACYP2C9
SCHEMBL28024039 0.85 MRGPRX4 (0.42) MRGPRX4PPARACYP2C9HIF1ARXRA
SCHEMBL28024500 0.84 MRGPRX4 (0.46) MRGPRX4PPARACYP2C9HIF1A
SCHEMBL28024045 0.83 CYP2C9 (0.40) MRGPRX4CYP2C9HIF1A
SCHEMBL28024473 0.83 MRGPRX4 (0.45) MRGPRX4PPARGPPARACYP2C9HIF1A
SCHEMBL28024063 0.83 MRGPRX4 (0.43) MRGPRX4PPARACYP2C9HIF1ARXRA
SCHEMBL28821202 0.83 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRG
SCHEMBL28097588 0.82 MRGPRX4 (0.39) MRGPRX4PPARGPPARAMAPTL3MBTL1

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