SCHEMBL13245125

SCHEMBL13245125

CC(=O)OCc1ccc(C(C=C(C)C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.40
FFAR1 O14842 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CA2 P00918 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRF1 P14222 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL12361679 0.78 LMNA (0.46) ALDH1A1CYP3A4ESR1MEN1KMT2A
SCHEMBL13245006 0.78 CA1 (0.32) FFAR1ESR1ESR2CA2
SCHEMBL132773 0.76 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2MEN1KMT2A
SCHEMBL14622045 0.75 FFAR1 (0.36) FFAR1ESR1ESR2CA2MEN1
SCHEMBL873057 0.75 ALDH1A1 (0.60) ALDH1A1CYP3A4NPBWR1MCHR1MEN1
SCHEMBL903568 0.75 ESR1 (0.43) ALDH1A1CYP3A4ESR1ESR2SMN1; SMN2
SCHEMBL26148309 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2MEN1KMT2A
SCHEMBL10125275 0.74 NR1H4 (0.42) ALDH1A1CA2KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10077075 0.74 MAOB (0.50) FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL12346045 0.73 CA12 (0.42) ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781529-B2 Polyelectrolyte vinyl alcohol polymers having sulfonate, carboxylate or phosphonate groups as well as crosslinking groups; blend with a tough, and highly chemical-resistant polymer, preferably a fluoropolymer; Membrane-Electrode Assemblies for use in fuel cells ARKEMA INC. (US) 2010-08-24 US disclosed
US-20080242805-A1 Polyelectrolyte vinyl alcohol polymers having sulfonate, carboxylate or phosphonate groups as well as crosslinking groups; blend with a tough, and highly chemical-resistant polymer, preferably a fluoropolymer; Membrane-Electrode Assemblies for use in fuel cells ARKEMA INC. (US) 2008-10-02 US disclosed
US-20080242833-A1 BLEND OF IONIC (CO)POLYMER RESINS AND MATRIX (CO)POLYMERS ARKEMA INC. (US) 2008-10-02 US disclosed