SCHEMBL17087716

SCHEMBL17087716

CCCCOCC1O[C@@H](Oc2ccc(CCN=[N+]=[N-])cc2)C(OCCCC)C(O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.37
▸ CD209 Q9NNX6 1/20 0.36
▸ LGALS3 P17931 2/20 0.35
▸ SELP P16109 1/20 0.33
▸ TYR P14679 1/20 0.32
▸ PTN P21246 1/20 0.31
▸ MDK P21741 1/20 0.31
▸ BDNF P23560 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL17087715 0.85 LGALS3 (0.39) GJB2LGALS3SELPMAOB
SCHEMBL17087718 0.83 DDB1 (0.31) DDB1CRBN
SCHEMBL18394344 0.82 LGALS3 (0.41) GJB2LGALS3
SCHEMBL20243568 0.82 LGALS3 (0.41) GJB2LGALS3
SCHEMBL18412650 0.82 LGALS3 (0.41) GJB2LGALS3
SCHEMBL19682240 0.79 CD209 (0.48) GJB2CD209LGALS3PTNMDK
SCHEMBL28111520 0.79 GJB2 (0.44) GJB2CD209PTNMDKBDNF
SCHEMBL28111519 0.79 GJB2 (0.44) GJB2CD209PTNMDKBDNF
SCHEMBL15281714 0.78 GJB2 (0.32) GJB2ADRB2
SCHEMBL25253809 0.78 TYR (0.39) CD209LGALS3SELPTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015136027-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIVERSITAET BASEL (CH) 2015-09-17 — — WO disclosed
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