SCHEMBL8440238

SCHEMBL8440238

CCCCCCCC/C=C\CCCCCCCC(=O)NC[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
FABP3 P05413 5/20 0.50
CNR1 P21554 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
SLC6A5 Q9Y345 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FAAH O00519 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7899802 0.92 FAAH (0.50) EPHX2MEN1KMT2AFAAH
SCHEMBL7676308 0.91 FAAH (0.47) EPHX2MEN1KMT2AALDH1A1FAAH
SCHEMBL1259472 0.85 EPHX2 (0.60) EPHX2MEN1KMT2ACNR1ALDH1A1
SCHEMBL1260748 0.81 CPT2 (0.51) EPHX2FABP3FAAHHRH3
SCHEMBL1260321 0.81 CPT2 (0.51) EPHX2FABP3FAAHHRH3
SCHEMBL17938086 0.80 MEN1 (0.53) MEN1KMT2AFABP3CNR1ALDH1A1
SCHEMBL2280712 0.79 FABP3 (0.51) MEN1KMT2AFABP3MAPTBLM
SCHEMBL2284143 0.79 FABP3 (0.51) MEN1KMT2AFABP3MAPTBLM
SCHEMBL915307 0.78 FABP3 (0.49) EPHX2FABP3SLC6A5FAAHHRH3
SCHEMBL3230755 0.78 FABP3 (0.49) EPHX2FABP3SLC6A5FAAHHRH3

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-5965656-A EMULSION POLYMERIZING A POLYFLUOROALKYL GROUP-CONTAINING ACRYLIC ESTER AND STEARYL (METH)ACRYLATE AT ACIDIC PH WITH A BETAINE TYPE, ALKYLAMINE OXIDE TYPE, OR NONIONIC TYPE EMULSIFIER; WATER AND OIL REPELLENT; NO ORGANIC SOLVENT NIPPON MEKTRON, LIMITED (JP) 1999-10-12 US disclosed