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SCHEMBL28024501

SCHEMBL28024501

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 14/20 0.42
▸ NR1H4 Q96RI1 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL28024044 0.92 MRGPRX4 (0.41) MRGPRX4NR1H4HIF1A
SCHEMBL28024498 0.91 MRGPRX4 (0.40) MRGPRX4NR1H4HIF1A
SCHEMBL28024520 0.87 MRGPRX4 (0.44) MRGPRX4NR1H4FFAR1FFAR4
SCHEMBL28024479 0.87 HIF1A (0.43) MRGPRX4HIF1ARAB9A
SCHEMBL28097578 0.86 NR1H4 (0.42) MRGPRX4NR1H4HIF1A
SCHEMBL28024045 0.85 CYP2C9 (0.40) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL28024071 0.83 MRGPRX4 (0.38) MRGPRX4HTTHIF1A
SCHEMBL28024473 0.83 MRGPRX4 (0.45) MRGPRX4HIF1ANPC1RAB9A
SCHEMBL28024500 0.82 MRGPRX4 (0.46) MRGPRX4FFAR1FFAR4HIF1A
SCHEMBL28024488 0.82 HIF1A (0.38) MRGPRX4NR1H4HIF1ANPC1RAB9A

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