SCHEMBL11066534

SCHEMBL11066534

C=C(O)C(=O)OCC.C=CC=CC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.44
HPGD P15428 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
XBP1 P17861 1/20 0.41
GRM4 Q14833 1/20 0.41
POLB P06746 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1860184 0.90 LMNA (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2061765 0.89 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8181765 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
Acrylic Acid Ethyl Ester SCHEMBL580632 0.84 LMNA (0.49) MEN1KMT2AALDH1A1LMNAKDM4E
Styrene SCHEMBL4856983 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1LMNAKDM4E
Ethyl Fumarate SCHEMBL251387 0.81 HCAR2 (0.53) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4193756 0.81 CA12 (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1087424 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1859410 0.80 POLB (0.51) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8910365 0.80 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4429039-A SUBBING LAYER CONTAINING AN ADDITION COPOLYMER AND A DICHLORO-2-TRIAZINE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1984-01-31 US disclosed
US-4011176-A ELECTROCONDUCTIVE COATING COMPOSITION CONTAINING CATIONIC LATEXES THE DOW CHEMICAL COMPANY (US) 1977-03-08 US disclosed