SCHEMBL11903585

SCHEMBL11903585

CCC(CC)COc1ccc([CH]CO)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ GPR88 Q9GZN0 3/20 0.35
▸ ATM Q13315 8/20 0.34
▸ ATR Q13535 4/20 0.34
▸ KDR P35968 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ THRB P10828 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
SCHEMBL11903445 0.82 GPR88 (0.37) KCNH2KDM4EGPR88THRATHRB
SCHEMBL15798122 0.77 PARP1 (0.40) SIRT2KDM4EPARP10
SCHEMBL12497540 0.77 GRM2 (0.41) KDM4EATMKDR
SCHEMBL15797861 0.73 CHEK1 (0.41) KDM4E
SCHEMBL11903608 0.71 APP (0.40) PARP10
SCHEMBL10002426 0.70 ESR1 (0.40) KDM4E
SCHEMBL29053404 0.69 THRA (0.49) KDM4ETHRATHRB
SCHEMBL15134973 0.68 DGAT1 (0.47) KDM4E
SCHEMBL11904813 0.68 GPR88 (0.37) KDM4EGPR88
SCHEMBL15121608 0.68 GPR88 (0.37) KDM4EGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 — — US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 — — EP disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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