SCHEMBL2486232

SCHEMBL2486232

C(OCC1CO1)C1CO1.CCCCCCCCCCCCCCCC(CC1CO1)OC(CCCCCCCCCCCCCCC)CC1CO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ENPP2 Q13822 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
SPHK1 Q9NYA1 2/20 0.33
EPHX1 P07099 1/20 0.33
SPHK2 Q9NRA0 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
SCHEMBL3241157 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL2485850 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3241159 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3245975 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3241128 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3231987 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3236864 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL29593 0.92 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL6925925 0.90 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2SPHK1EPHX1
SCHEMBL3238846 0.85 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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-1967217-B1 Antimicrobial medical product, method for manufacture and application thereof AESCULAP AG (DE) 2011-10-26 EP claimed
EP-1967217-A2 Antimicrobial medical product, method for manufacture and application thereof AESCULAP AG (DE) 2008-09-10 EP claimed