SCHEMBL28675737

SCHEMBL28675737

CCOC(=O)C(F)(F)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
THRB P10828 1/20 0.43
PIN1 Q13526 1/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PPID Q08752 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
SCHEMBL31657306 0.86 MMP8 (0.49) MMP8ALDH1A1RECQLPOLBNPSR1
SCHEMBL9115091 0.85 MMP8 (0.50) MMP8ALDH1A1RECQLNPSR1LMNA
SCHEMBL9116769 0.85 MMP8 (0.57) MMP8ALDH1A1RECQLLMNAPIN1
SCHEMBL8743568 0.85 ALDH1A1 (0.47) MMP8ALDH1A1RECQLPOLBNPSR1
SCHEMBL28943134 0.82 LMNA (0.48) MMP8ALDH1A1RECQLPOLBNPSR1
SCHEMBL2008727 0.82 TAAR1 (0.53) MMP8ALDH1A1RECQLPOLBNPSR1
SCHEMBL18337569 0.82 ALDH1A1 (0.47) MMP8ALDH1A1RECQLPOLBNPSR1
SCHEMBL22087971 0.82 MMP8 (0.53) MMP8ALDH1A1RECQLLMNAPIN1
SCHEMBL3725218 0.82 MMP8 (0.47) MMP8ALDH1A1RECQLPOLBLMNA
SCHEMBL9115819 0.82 MMP8 (0.47) MMP8ALDH1A1RECQLPOLBNPSR1

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-113845436-B Method for using o-phosphine phenol photocatalyst in defluorination alkylation and defluorination protonation reaction 中国科学技术大学 2023-08-29 CN disclosed
CN-113845436-A Method for applying o-phosphino-phenol photocatalyst to defluorination alkylation and defluorination protonation reactions 中国科学技术大学 2021-12-28 CN disclosed