SCHEMBL27747508

SCHEMBL27747508

CCCCCCCCCCCCCCC(C(N)=O)C(O)CC.CCCCCCCCCCCCCCCCOC(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.40
EPHX1 P07099 1/20 0.40
GPR84 Q9NQS5 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FFAR1 O14842 1/20 0.37
DNM1 Q05193 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 1/20 0.35
TLR2 O60603 1/20 0.35
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL27491818 0.86 GPR84 (0.47) SPHK1EPHX1GPR84CA1CA2
Water SCHEMBL28211376 0.85 GPR84 (0.46) SPHK1EPHX1GPR84CA1CA2
SCHEMBL28814710 0.83 GPR84 (0.37) SPHK1GPR84CA1CA2FFAR1
SCHEMBL23174736 0.78 FAAH (0.53) FFAR1MAPTGMNNLMNAPOLB
SCHEMBL1300570 0.78 FAAH (0.53) FFAR1MAPTGMNNLMNAPOLB
SCHEMBL10880891 0.76 DNM1 (0.50) SPHK1DNM1MAPTHTT
SCHEMBL1095622 0.76 DNM1 (0.50) SPHK1DNM1MAPTHTT
SCHEMBL5537012 0.76 DNM1 (0.50) SPHK1DNM1MAPTHTT
SCHEMBL1096441 0.76 DNM1 (0.50) SPHK1DNM1MAPTHTT
SCHEMBL10882065 0.76 DNM1 (0.50) SPHK1DNM1MAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105640791-A Antimicrobial compositions 西姆莱斯股份公司 2016-06-08 CN disclosed
CN-101484564-B Skin friendly broad spectrum disinfecting compositions CENTENNIAL VENTURES B V 2011-08-03 CN disclosed
CN-101484564-A Skin friendly broad spectrum disinfecting compositions CENTENNIAL VENTURES B V (NL) 2009-07-15 CN disclosed