SCHEMBL28024520

SCHEMBL28024520

CON=C(C)c1ccc(OCc2c(Cc3ccc(C(=O)O)cc3C(=O)O)cccc2C(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.44
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NR1H4 Q96RI1 3/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PTGER1 P34995 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL28024064 0.90 MRGPRX4 (0.41) MRGPRX4FFAR1FFAR4NR1H4PTGER1
SCHEMBL28024044 0.90 MRGPRX4 (0.41) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024498 0.89 MRGPRX4 (0.40) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024501 0.87 MRGPRX4 (0.42) MRGPRX4FFAR1FFAR4NR1H4
SCHEMBL28024479 0.85 HIF1A (0.43) MRGPRX4PPARGPPARDPPARARXRA
SCHEMBL28097578 0.84 NR1H4 (0.42) MRGPRX4NR1H4PPARGPPARDPPARA
SCHEMBL28024071 0.81 MRGPRX4 (0.38) MRGPRX4PPARGPPARARXRARXRB
SCHEMBL28024488 0.80 HIF1A (0.38) MRGPRX4NR1H4PPARGPPARAPTGER1
SCHEMBL28024039 0.79 MRGPRX4 (0.42) MRGPRX4PPARAPTGER1RXRARXRB
SCHEMBL28024545 0.79 ALDH1A1 (0.39)

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