SCHEMBL20360331

SCHEMBL20360331

C=C(OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SYK P43405 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL1680118 0.85 ALDH1A1 (0.56) ALDH1A1SYKTDP1L3MBTL1MAPK1
SCHEMBL9646513 0.84 ALDH1A1 (0.53) ALDH1A1SYKTDP1L3MBTL1MAPK1
SCHEMBL6049015 0.83 ALDH1A1 (0.44) ALDH1A1SYKTDP1L3MBTL1MAPK1
SCHEMBL4993020 0.82 ALDH1A1 (0.49) ALDH1A1SYKTDP1L3MBTL1MAPK1
Methacrylic Acid SCHEMBL11393557 0.82 ALDH1A1 (0.50) ALDH1A1SYKTDP1L3MBTL1MAPK1
SCHEMBL6162608 0.81 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL9470658 0.81 SYK (0.51) ALDH1A1SYKKMT2ANPC1RAB9A
SCHEMBL318099 0.80 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
Formaldehyde SCHEMBL28513707 0.80 ALDH1A1 (0.55) ALDH1A1SYKTDP1L3MBTL1MAPK1
SCHEMBL6049021 0.80 ALDH1A1 (0.44) ALDH1A1SYKTDP1L3MBTL1MAPK1

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-20180196367-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-07-12 US disclosed