SCHEMBL16437168

SCHEMBL16437168

C=CCOCC(COc1ccccc1)OCP(=O)(O)COC(COCC=C)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CASP1 P29466 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 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
SCHEMBL16437169 0.92 CYP2C9 (0.42) CYP2C9CYP2C19CASP1LMNASMN1; SMN2
SCHEMBL13154444 0.81 S1PR1 (0.52) CASP1LMNASMN1; SMN2THRBMEN1
SCHEMBL25587501 0.80 CASP1 (0.34) CYP2C9CYP2C19CASP1LMNASMN1; SMN2
SCHEMBL13713920 0.80 MEN1 (0.41) LMNASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13085598 0.79 LMNA (0.37) LMNASMN1; SMN2THRBKDM4EMEN1
SCHEMBL25752353 0.79 CASP1 (0.33) CYP2C9CYP2C19CASP1SMN1; SMN2GLA
SCHEMBL24494610 0.79 LMNA (0.42) LMNASMN1; SMN2HTTKDM4EMEN1
SCHEMBL24961174 0.79 CYP2D6 (0.44) LMNASMN1; SMN2HTTKDM4EMEN1
SCHEMBL14168750 0.77 LTA4H (0.41) LMNAMEN1KMT2A
SCHEMBL27438647 0.77 LMNA (0.36) LMNASMN1; SMN2THRBKDM4EMEN1

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
US-9353195-B2 Emulsifier for emulsion polymerization and emulsion polymerization method using same DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2016-05-31 — — US disclosed
US-20150038654-A1 EMULSIFIER FOR EMULSION POLYMERIZATION AND EMULSION POLYMERIZATION METHOD USING SAME DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2015-02-05 — — US disclosed
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