SCHEMBL11525978

SCHEMBL11525978

C=C(C)c1ccccc1.C=C(CC(CC)CCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL7699006 0.85 CNR2 (0.49) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL22081 0.84 CA2 (0.47) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL20609791 0.84 CA2 (0.47) ALDH1A1CYP3A4CA2MAPK1TSHR
Styrene SCHEMBL2045081 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAMAPK1
Methacrylic Acid SCHEMBL9065134 0.82 CA2 (0.43) ALDH1A1CYP3A4CA2MAPK1TSHR
Ethylene SCHEMBL1759446 0.82 CA2 (0.46) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL6131025 0.82 HDAC3 (0.45) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL6131027 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL6131024 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL3963117 0.79 CA2 (0.43) ALDH1A1CYP3A4CA2MAPK1TSHR

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-4162239-A EMULSION POLYMERIZATION IN PRESENCE OF CROSSLINKED ACRYLIC ESTER POLYMER LONZA LTD. (CH) 1979-07-24 US disclosed