SCHEMBL11782819

SCHEMBL11782819

CCOC(=O)C(=C=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
DHODH Q02127 1/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27892730 0.86 ALDH1A1 (0.56) GAASMN1; SMN2KMT2AALDH1A1RAB9A
SCHEMBL30716961 0.80 F2 (0.39) SMN1; SMN2KMT2AALDH1A1RAB9ALMNA
SCHEMBL29135514 0.80 SMN1; SMN2 (0.37) GAASMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL167161 0.77 CES2 (0.60) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL28536160 0.74 GAA (0.49) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL22062215 0.74 GAA (0.49) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL5086187 0.74 ALDH1A1 (0.50) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL23332383 0.73 GAA (0.47) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL11839592 0.73 CES2 (0.54) GAASMN1; SMN2HTTDHODHKMT2A
SCHEMBL9723849 0.73 DHODH (0.50) GAASMN1; SMN2HTTDHODHKMT2A

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
US-3932318-A COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 US disclosed