SCHEMBL28175925

SCHEMBL28175925

CC(C)(Cc1ccc(N=O)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLQ O75417 7/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL28382816 0.81 NR1H2 (0.47) KDM4EL3MBTL1POLQLMNAPPARA
SCHEMBL28176917 0.79 RXRA (0.44) POLQRXRARXRBRXRG
SCHEMBL28155357 0.78 SIRT2 (0.39) POLQEPHX2RXRARXRBRXRG
SCHEMBL28176921 0.77 SLC6A2 (0.37) POLQRXRARXRBRXRGAR
SCHEMBL28175906 0.77 FFAR4 (0.43) PPARAPPARGPPARDEPHX2RXRA
SCHEMBL16054403 0.75 ALDH1A1 (0.45) L3MBTL1LMNA
SCHEMBL16054404 0.75 ALDH1A1 (0.45) L3MBTL1LMNA
SCHEMBL19073460 0.73 IDO1 (0.34) POLQ
SCHEMBL28210229 0.72 CES2 (0.46) KDM4ERXRARXRB
SCHEMBL28851037 0.70 CYP4F2 (0.45) L3MBTL1EPHX2

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-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 — — CN disclosed
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