SCHEMBL29473799

SCHEMBL29473799

COc1cc(-c2ccc(C(=O)O)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 12/20 0.71
▸ RXRB P28702 11/20 0.71
▸ RXRG P48443 6/20 0.71
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PTPN11 Q06124 1/20 0.47
▸ SRD5A2 P31213 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ MAP4K4 O95819 1/20 0.44

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
SCHEMBL2035502 0.84 RXRA (1.00) RXRARXRBRXRGCA1CA2
SCHEMBL23698041 0.84 RXRA (1.00) RXRARXRBRXRGSRD5A2MAP4K4
SCHEMBL31133384 0.81 RXRA (0.51) RXRARXRBRXRGCA1CA2
SCHEMBL627645 0.81 RXRA (0.51) RXRARXRBRXRGCA1CA2
SCHEMBL4145328 0.80 RXRA (0.78) RXRARXRBRXRGCA1CA2
SCHEMBL29473789 0.78 RXRA (0.81) RXRARXRBRXRGCA1CA2
SCHEMBL18001609 0.78 RXRA (0.59) RXRARXRBRXRG
SCHEMBL23910108 0.78 RXRA (0.59) RXRARXRBRXRG
SCHEMBL6733430 0.76 ABL1 (0.57) RXRARXRBRXRG
SCHEMBL13247923 0.76 RXRA (0.55) RXRARXRBRXRG

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-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 — — CN disclosed
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