SCHEMBL7780752

SCHEMBL7780752

CCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C.CCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
SPHK1 Q9NYA1 4/20 0.38
SPHK2 Q9NRA0 3/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL29018392 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL31508942 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL31509415 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL432739 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL11711588 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL2855291 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL6589677 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL593048 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL2855219 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL6473662 0.98 ALDH1A1 (0.39) ALDH1A1OPRM1DAGLASPHK1SPHK2

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-1135021-A1 SUSTAINED RELEASE POLYMER-BASED WATER INSOLUBLE BEADS Ben Gurion University Of The Negev Research And Development Authority (IL) 2001-09-26 EP disclosed
WO-2000032043-A1 SUSTAINED RELEASE POLYMER-BASED WATER INSOLUBLE BEADS BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2000-06-08 WO disclosed