SCHEMBL9858309

SCHEMBL9858309

CC(COc1ccccc1)OO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAOA P21397 1/20 0.53
PTGS1 P23219 1/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
CYP2D6 P10635 3/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
SCN4A P35499 2/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10013740 0.81 LMNA (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2505117 0.81 LMNA (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL13997916 0.79 MTNR1A (0.60) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL872625 0.79 LMNA (0.75) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL3254859 0.78 LMNA (1.00) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2943775 0.78 LMNA (1.00) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL50453 0.78 LMNA (1.00) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL1618880 0.78 LMNA (1.00) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL13385106 0.78 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL97377 0.78 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4745142-A POLYETHER, POLYESTER COPOLYMERS MODIFIED BY ALCOHOLS TEIJIN LIMITED (JP) 1988-05-17 US claimed
EP-0220576-A1 Stainproof polyester fiber TEIJIN LIMITED (JP) 1987-05-06 EP claimed
EP-0220576-B1 STAINPROOF POLYESTER FIBER TEIJIN LIMITED (JP) 1991-01-02 EP disclosed
US-4745142-A POLYETHER, POLYESTER COPOLYMERS MODIFIED BY ALCOHOLS TEIJIN LIMITED (JP) 1988-05-17 US disclosed
EP-0220576-A1 Stainproof polyester fiber TEIJIN LIMITED (JP) 1987-05-06 EP disclosed