SCHEMBL4459281

SCHEMBL4459281

C=C(C)C(=O)Oc1cccc(S(=O)(=O)c2cccc(OC(=O)C(=C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MTNR1B P49286 1/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
MEP1B Q16820 1/20 0.37
NAMPT P43490 1/20 0.36
LOX P28300 1/20 0.36

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
SCHEMBL19845109 0.89 ELANE (0.45) ELANEPOLBMAPTPKMLMNA
SCHEMBL203778 0.88 CA2 (0.47) ELANEPOLBMAPTKMT2AMEN1
SCHEMBL3255441 0.85 POLB (0.44) ELANEPOLBMAPTPKMLMNA
SCHEMBL3268579 0.85 SMN1; SMN2 (0.46) ELANEMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL218655 0.84 ELANE (0.56) ELANELMNACYP3A4KMT2AATM
SCHEMBL7782512 0.83 ELANE (0.47) ELANELMNAMEP1B
SCHEMBL27403639 0.83 ELANE (0.40) ELANELMNACYP3A4KMT2AATM
SCHEMBL3269510 0.82 ALDH1A1 (0.52) POLBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3246077 0.82 HTR2B (0.43) ELANELMNASMN1; SMN2MEP1B
SCHEMBL3242511 0.82 LMNA (0.52) ELANEPOLBMAPTLMNACYP3A4

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-20090026425-A1 COMPOSITION COMPRISING POLYESTER AMIDE ACID AND THE LIKE AND INK-JET INK COMPOSITION USING THE SAME CHISSO CORPORATION (JP) 2009-01-29 US disclosed
US-20080124456-A1 Inkjet ink and method for forming cured film using the same CHISSO CORPORATION 2008-05-29 US disclosed
EP-0802208-B1 Optical resin composition and use thereof MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed
US-6019915-A PHOTOCURING A MIXTURE OF A THIOURETHANE POLYMER FROM A POLYTHIOL HAVING AT LEAST 3 MERCAPTO GROUPS AND AN INTRAMOLECULAR SULFIDE BOND AND POLYISOCYANATE, POLY(METH)ACRYLATE AND AN UNSATURATED COMPOUND MITSUI CHEMICALS, INC. (JP) 2000-02-01 US disclosed
EP-0802208-A1 Optical resin composition and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-22 EP disclosed