SCHEMBL28024548

SCHEMBL28024548

Cc1cc(C(=O)C(C)C)ccc1OCc1c(C)cccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL28821202 0.90 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRG
SCHEMBL28024063 0.88 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRG
SCHEMBL28024050 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRG
SCHEMBL28024509 0.87 MRGPRX4 (0.39) MRGPRX4
SCHEMBL28024078 0.85 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRG
SCHEMBL28024044 0.85 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRG
SCHEMBL28016556 0.85 THRA (0.45) MRGPRX4
SCHEMBL28016544 0.84 MAPT (0.41) MRGPRX4RXRARXRBRXRG
SCHEMBL28024039 0.83 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRG
SCHEMBL28024473 0.81 MRGPRX4 (0.45) MRGPRX4

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