SCHEMBL13864762

SCHEMBL13864762

CCCCCCCCCCCCCCCCOCCCNC(=O)CNC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.49
EPHX2 P34913 2/20 0.48
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
FAAH O00519 1/20 0.46
ACHE P22303 6/20 0.46
NAAA Q02083 1/20 0.46
CES2 O00748 2/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX1 P07099 1/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL13864743 1.00 CASP2 (0.49) CASP2EPHX2TSHRRECQLFAAH
SCHEMBL13864735 1.00 CASP2 (0.49) CASP2EPHX2TSHRRECQLFAAH
SCHEMBL13864739 1.00 CASP2 (0.49) CASP2EPHX2TSHRRECQLFAAH
SCHEMBL13864736 0.93 EPHX2 (0.48) CASP2EPHX2FAAHACHENAAA
SCHEMBL22845257 0.93 EPHX2 (0.48) CASP2EPHX2FAAHACHENAAA
SCHEMBL14669876 0.88 TSHR (0.46) EPHX2TSHRRECQLALDH1A1
SCHEMBL22340820 0.86 CASP2 (0.64) CASP2EPHX2FAAHNAAAEPHX1
SCHEMBL21613628 0.86 CASP2 (0.64) CASP2EPHX2FAAHNAAAEPHX1
SCHEMBL11014644 0.86 CASP2 (0.64) CASP2EPHX2FAAHNAAAEPHX1
SCHEMBL25950981 0.86 CASP2 (0.64) CASP2EPHX2FAAHNAAAEPHX1

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-7531165-B2 Hair cosmetic, aminocarboxylic acid amide and method for producing the same KAO CORPORATION (JP) 2009-05-12 US disclosed