SCHEMBL28024547

SCHEMBL28024547

CON=C(c1ccccc1)c1ccc(OCc2c(Cc3ccc(C(=O)O)cc3C(=O)O)cccc2C2CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.38
NR1H4 Q96RI1 4/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 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
SCHEMBL28097578 0.90 NR1H4 (0.42) MRGPRX4NR1H4HIF1A
SCHEMBL28024039 0.89 MRGPRX4 (0.42) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28024484 0.89 MRGPRX4 (0.36) MRGPRX4NR1H4CYP2C9HIF1A
SCHEMBL28020693 0.85 MRGPRX4 (0.39) MRGPRX4NR1H4
SCHEMBL28024059 0.84 HIF1A (0.38) MRGPRX4NR1H4HIF1A
SCHEMBL28024473 0.84 MRGPRX4 (0.45) MRGPRX4CYP2C9HIF1A
SCHEMBL28024500 0.83 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1A
SCHEMBL28097588 0.83 MRGPRX4 (0.39) MRGPRX4CYP2C9HIF1A
SCHEMBL28821177 0.82 MRGPRX4 (0.44) MRGPRX4
SCHEMBL28024045 0.81 CYP2C9 (0.40) MRGPRX4CYP2C9HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed