SCHEMBL7144375

SCHEMBL7144375

CO/C=C(/C(=O)O)c1ccccc1C=C/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
P4HB P07237 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
FBP1 P09467 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
SCHEMBL7144373 1.00 MAOB (0.44) MAOBKDM4EMEN1KMT2AMAPT
SCHEMBL7135382 0.88 TRPA1 (0.42) MAOBNFE2L2
SCHEMBL7135385 0.88 TRPA1 (0.42) MAOBNFE2L2
SCHEMBL7141749 0.85 AKR1C2 (0.44) MAOBMEN1KMT2AMAPTNFE2L2
SCHEMBL7141751 0.85 AKR1C2 (0.44) MAOBMEN1KMT2AMAPTNFE2L2
SCHEMBL7138590 0.85 MAOB (0.41) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL7138593 0.85 MAOB (0.41) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL7139096 0.85 MAOB (0.42) MAOBMEN1KMT2ALMNANFE2L2
SCHEMBL7139094 0.85 MAOB (0.42) MAOBMEN1KMT2ALMNANFE2L2
SCHEMBL7141545 0.83 MAOB (0.43) MAOBMEN1KMT2ALMNANFE2L2

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
EP-0996439-B1 BETA-ALKOXYACRYLATES AGAINST MALARIA HOFFMANN LA ROCHE (CH) 2003-01-08 EP disclosed
US-6084120-A ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID HOFFMANN-LA ROCHE INC. (US) 2000-07-04 US disclosed