SCHEMBL8105632

SCHEMBL8105632

CCCCCCCCCCO[C@@H](C(N)=O)[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
MGAM O43451 3/20 0.41
DNM1 Q05193 1/20 0.41
MAPT P10636 2/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL7455637 1.00 USP2 (0.42) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL7451355 0.90 USP2 (0.40) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL5708646 0.90 USP2 (0.40) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL8844456 0.90 USP2 (0.40) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL3612613 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL3624845 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL3623162 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL3624839 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL431956 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6
SCHEMBL3617675 0.89 USP2 (0.39) USP2MGAMDNM1MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901513-A4 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORP (US) 2000-11-15 EP disclosed
WO-1999055645-A1 AGRICULTURAL ADJUVANT COGNIS CORPORATION (US) 1999-11-04 WO disclosed
EP-0901513-A1 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORPORATION (US) 1999-03-17 EP disclosed
WO-1997042281-A1 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORPORATION (US) 1997-11-13 WO disclosed
WO-1996039839-A1 IODINE COMPLEX OF ALKYL POLYGLYCOSIDES HENKEL CORPORATION (US) 1996-12-19 WO disclosed
US-5352386-A Detergent mixture of octaethylene glycol, mono-decyl ether and N-alkyl-1,2,3-trihydroxypropionamide LEVER BROTHERS COMPANY (US) 1994-10-04 US disclosed