SCHEMBL6470847

SCHEMBL6470847

CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC.CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 3/20 0.44
SPHK1 Q9NYA1 7/20 0.41
SPHK2 Q9NRA0 7/20 0.41
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2712146 1.00 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL28228462 1.00 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL3691 1.00 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL5797801 0.95 EPHX1 (0.48) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL11592604 0.92 EPHX1 (0.43) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL9057842 0.92 EPHX1 (0.43) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL29459695 0.91 EPHX1 (0.42) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL3286073 0.91 EPHX1 (0.42) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL28227693 0.89 EPHX1 (0.59) EPHX1ALDH1A1SPHK1SPHK2ALOX5
SCHEMBL28227694 0.89 EPHX1 (0.59) EPHX1ALDH1A1SPHK1SPHK2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005041893-A2 DETECTION OF ACUTE MYOCARDIAL INFARCTION BIOMARKERS QUESTSTAR MEDICAL, INC. (US) 2005-05-12 WO disclosed
EP-0451211-A4 CLONING AND PRODUCTION OF POLYPEPTIDE ANALOGS OF HUMAN FIBRONECTIN AND METHOD OF USING SUCH POLYPEPTIDE ANALOGS 1992-09-09 EP disclosed
EP-0451211-A1 CLONING AND PRODUCTION OF POLYPEPTIDE ANALOGS OF HUMAN FIBRONECTIN AND METHOD OF USING SUCH POLYPEPTIDE ANALOGS BIO-TECHNOLOGY GENERAL CORPORATION (US) 1991-10-16 EP disclosed
WO-1990007577-A1 CLONING AND PRODUCTION OF POLYPEPTIDE ANALOGS OF HUMAN FIBRONECTIN AND METHOD OF USING SUCH POLYPEPTIDE ANALOGS BIO-TECHNOLOGY GENERAL CORP. (US) 1990-07-12 WO disclosed