SCHEMBL28024517

SCHEMBL28024517

CCOC(C=N)c1ccc(OCc2ccccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.38
FFAR1 O14842 3/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
FOLH1 Q04609 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL28821025 0.88 FFAR1 (0.39) MRGPRX4FFAR1FFAR4
SCHEMBL28024067 0.83 WDR5 (0.38) MRGPRX4
SCHEMBL28048671 0.79 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28024479 0.74 HIF1A (0.43) MRGPRX4LMNACYP2C9HIF1ARXRA
SCHEMBL27877447 0.72 MRGPRX4 (0.59) MRGPRX4RXRARXRBRXRGFOLH1
SCHEMBL28825558 0.71 MRGPRX4 (0.44) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28048667 0.71 MRGPRX4 (0.40) MRGPRX4LMNACD274
SCHEMBL28049551 0.70 NR4A2 (0.50) MRGPRX4FFAR1FFAR4
SCHEMBL28024050 0.69 MRGPRX4 (0.46) MRGPRX4LMNACYP2C9HIF1ARXRA
SCHEMBL28024548 0.69 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRG

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