SCHEMBL31006431

SCHEMBL31006431

CCCCCCCC/C=C\CCCCCCCCNC(=O)CCCN(CCO)CCCC(=O)NCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.65
▸ EPHX2 P34913 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.63
▸ HPGD P15428 2/20 0.63
▸ SLC6A5 Q9Y345 2/20 0.63
▸ TRPV1 Q8NER1 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL31006430 0.95 CNR1 (0.69) CNR1EPHX2ALDH1A1HPGDSLC6A5
SCHEMBL10002234 0.87 EPHX2 (0.65) CNR1EPHX2SLC6A5
SCHEMBL3166818 0.87 DNM1 (0.71) CNR1EPHX2ALDH1A1HPGDTRPV1
SCHEMBL29286458 0.87 DNM1 (0.71) CNR1EPHX2ALDH1A1HPGDTRPV1
SCHEMBL29286406 0.87 DNM1 (0.71) CNR1EPHX2ALDH1A1HPGDTRPV1
SCHEMBL29286436 0.87 DNM1 (0.71) CNR1EPHX2ALDH1A1HPGDTRPV1
SCHEMBL16411859 0.86 EPHX2 (0.68) CNR1EPHX2ALDH1A1HPGDSLC6A5
SCHEMBL11463810 0.86 EPHX2 (0.68) CNR1EPHX2ALDH1A1HPGDSLC6A5
SCHEMBL19549315 0.86 CNR1 (0.57) CNR1EPHX2ALDH1A1HPGDSLC6A5
SCHEMBL6416627 0.86 EPHX2 (0.68) CNR1EPHX2ALDH1A1HPGDSLC6A5

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
CN-118164866-A Cationic lipid compounds, compositions and uses thereof 胡天楠 2024-06-11 — — CN disclosed
Send feedback