SCHEMBL19281112

SCHEMBL19281112

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 1.00
FAAH O00519 5/20 0.64
NAAA Q02083 1/20 0.62
CASP2 P42575 1/20 0.61
EPHX2 P34913 3/20 0.54
SELP P16109 1/20 0.54
CNR1 P21554 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8780431 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL94326 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL9565176 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL15994307 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL7924413 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL8660980 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL3318222 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL74418 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL5383341 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2
SCHEMBL23353 1.00 DNM1 (1.00) DNM1FAAHNAAACASP2EPHX2

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
EP-3013312-B1 HAIR CONDITIONER KAO CORP SA (ES) 2017-08-30 EP disclosed