SCHEMBL14413619

SCHEMBL14413619

CCCCO[C@@H]([C@H](CO)OCCCC)[C@@H](CO)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
MGAM O43451 3/20 0.37
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33
DNM1 Q05193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL15895045 0.95 TSHR (0.39) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL16638481 0.90 USP2 (0.46) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL15895136 0.90 TSHR (0.35) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL17792592 0.88 TSHR (0.44) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL18611903 0.88 LPAR6 (0.36) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL16358125 0.88 USP2 (0.39) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL6229989 0.85 TSHR (0.41) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL7540913 0.82 MGAM (0.36) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL6036788 0.82 TSHR (0.50) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL14400398 0.82 USP2 (0.46) TSHRMGAMUSP2

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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed
WO-2007098597-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-09-07 WO disclosed