SCHEMBL8166266

SCHEMBL8166266

C=C(C=CC(=O)O)C(=O)OCC.CC(=CC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL8158339 0.89 KDM4E (0.57) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL6756945 0.88 MEN1 (0.51) ALDH1A1LMNAKDM4EPOLBMAPT
Maleic Acid SCHEMBL17504861 0.83 MEN1 (0.54) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL8181765 0.82 MEN1 (0.46) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL10895380 0.81 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL2706128 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL2706129 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL8014931 0.80 MEN1 (0.54) ALDH1A1LMNAKDM4EPOLBMAPT
Styrene SCHEMBL7123463 0.79 MEN1 (0.53) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL1087134 0.79 MEN1 (0.58) ALDH1A1LMNAKDM4EMAPTKMT2A

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-6020438-A EMULSION POLYMER THE B. F. GOODRICH COMPANY (US) 2000-02-01 US disclosed