SCHEMBL14239787

SCHEMBL14239787

CCCCCCCC/C=C\CCCCCCCC(=O)OCCNC(=O)CCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.59
LPAR1 Q92633 2/20 0.58
LPAR2 Q9HBW0 2/20 0.58
ENPP2 Q13822 1/20 0.58
EPHX2 P34913 3/20 0.54
CNR1 P21554 3/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SLC6A5 Q9Y345 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
SCHEMBL14239783 0.93 DNM1 (0.68) DNM1LPAR1LPAR2ENPP2EPHX2
SCHEMBL9860855 0.91 LPAR1 (0.67) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL9860844 0.91 LPAR1 (0.67) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL21302818 0.88 CNR1 (0.70) LPAR1LPAR2ENPP2CNR1ALDH1A1
SCHEMBL5343029 0.86 EPHX2 (0.58) DNM1LPAR1LPAR2ENPP2EPHX2
SCHEMBL5343022 0.86 EPHX2 (0.58) DNM1LPAR1LPAR2ENPP2EPHX2
SCHEMBL9472268 0.85 EPHX2 (0.66) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL9472257 0.85 EPHX2 (0.66) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL25134837 0.85 DNM1 (0.82) DNM1LPAR1EPHX2CNR1ALDH1A1
SCHEMBL22439648 0.85 DNM1 (0.69) DNM1EPHX2CNR1ALDH1A1MAPT

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
WO-2012170952-A9 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY NITTO DENKO CORPORATION (JP) 2013-02-21 WO disclosed
WO-2012170952-A2 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY NITTO DENKO CORPORATION (JP) 2012-12-13 WO disclosed