SCHEMBL17056201

SCHEMBL17056201

CCCCCCC1(CCCCCC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(/C(C)=N\OC(C)=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ PPARA Q07869 4/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LTB4R Q15722 1/20 0.35
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33

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
SCHEMBL17056200 0.92 PDK2 (0.44) PDK2CNR2PPARGPPARAPTGS2
SCHEMBL17056226 0.88 ALDH1A1 (0.34) PDK2CNR2PPARGPPARAMEN1
SCHEMBL17084318 0.87 PDK2 (0.41) PDK2CNR2PTGS2ALDH1A1LTB4R
SCHEMBL17953240 0.87 PDK2 (0.45) PDK2CNR2PPARGPPARAPTGS2
SCHEMBL18012817 0.87 PDK2 (0.36) PDK2PPARGPPARAMEN1KMT2A
SCHEMBL16556664 0.86 PDK2 (0.42) PDK2
SCHEMBL16477975 0.84 PPARG (0.33) PDK2CNR2PPARGPPARAMEN1
SCHEMBL18012819 0.82 CYP2C19 (0.36) PDK2PPARGPPARAMEN1KMT2A
SCHEMBL17056224 0.82 PDK2 (0.41) PDK2
SCHEMBL17084360 0.82 PDK2 (0.41) PDK2

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
EP-2913323-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR Daito Chemix Corporation (JP) 2015-09-02 — — EP disclosed
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