SCHEMBL3415819

SCHEMBL3415819

CCCCCCC(=O)OC(=O)CCCCC.CN(C1CCCCC1)C1CCCCC1.CN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.58
▸ DNM1 Q05193 1/20 0.44
▸ DGKA P23743 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PAM P19021 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
Heptanoate SCHEMBL3414292 0.84 GPR84 (0.57) NAAAMAPT
Heptanoate SCHEMBL3415815 0.84 GPR84 (0.57) NAAAMAPT
Octanoic Acid SCHEMBL3416796 0.84 GPR84 (0.57) NAAAMAPT
Hexanoate SCHEMBL3416257 0.82 AKR1B1 (0.55) NAAAMAPT
Cyclohexane SCHEMBL22362363 0.81 NAAA (0.58) NAAADGKALMNAPAMMAPT
SCHEMBL28417651 0.79 NAAA (0.59) NAAADNM1DGKALMNATHRA
SCHEMBL11319310 0.79 NAAA (0.59) NAAADNM1DGKALMNATHRA
SCHEMBL10822565 0.79 NAAA (0.59) NAAADNM1DGKALMNATHRA
SCHEMBL2166981 0.77 DGKA (0.67) DGKALMNAPAMMAPTMAPK1
SCHEMBL8843651 0.77 DGKA (0.67) DGKALMNAPAMMAPTMAPK1

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
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 — — EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 — — WO disclosed
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