SCHEMBL6873511

SCHEMBL6873511

CCC(CC)COc1ccc([C@H](CO)NC=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 6/20 0.57
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ERN1 O75460 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ APP P05067 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
SCHEMBL15127992 0.86 GPR88 (0.52) GPR88APP
SCHEMBL1554247 0.79 GPR88 (0.60) GPR88HIF1ALMNATAS1R3TAS1R1
SCHEMBL15127998 0.79 GPR88 (0.48) GPR88APP
SCHEMBL15121674 0.78 GPR88 (0.50) GPR88HIF1ATSHRMAPK1
SCHEMBL6871600 0.76 SMN1; SMN2 (0.40) GPR88HTTMAPK1RAB9A
SCHEMBL2497363 0.73 GPR88 (1.00) GPR88
SCHEMBL11903449 0.73 GPR88 (0.48) GPR88HIF1ALMNATAS1R3TAS1R1
SCHEMBL6686922 0.73 ALDH1A1 (0.61) GPR88ERN1TSHRMAPK1KDM4E
SCHEMBL12445601 0.73 GAA (0.42) GPR88HTTHIF1ALMNAGAA
SCHEMBL6871594 0.71 GPR88 (0.54) GPR88

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-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO disclosed
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