SCHEMBL472085

SCHEMBL472085

C=CCOCC=C.OC1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
SHBG P04278 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL1044136 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4866282 0.83 EPHX2 (0.42) ALDH1A1
SCHEMBL1980382 0.82 ALDH1A1 (0.36) ALDH1A1MEN1POLBKMT2ASHBG
Inositol SCHEMBL10802156 0.80 ALDH1A1 (0.42) ALDH1A1CA1CA2CA7CA9
SCHEMBL5974050 0.80 ALDH1A1 (0.40) ALDH1A1CA1CA2CA7CA9
SCHEMBL5973189 0.80 ALDH1A1 (0.40) ALDH1A1CA1CA2CA7CA9
SCHEMBL5974117 0.78 ALDH1A1 (0.39) ALDH1A1CA1CA2CA7CA9
Hydrogen Peroxide SCHEMBL11812678 0.76
SCHEMBL15068452 0.76 CA1 (0.46) ALDH1A1CA1CA2CA7CA9
SCHEMBL15584 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412712-A1 METHOD FOR PRODUCING EPOXY COMPOUND Showa Denko K.K. (JP) 2012-02-01 EP disclosed
CN-100407494-C Sealing agent for photoelectric conversion element and photoelectric conversion element using the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-07-30 CN disclosed
CN-1751410-A Sealing agent for photoelectric conversion element and photoelectric conversion element using the same NIPPON KAYAKU KK (JP) 2006-03-22 CN disclosed