SCHEMBL11904853

SCHEMBL11904853

CCCCC(C)Oc1ccc([C@@H](N)CO)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 2/20 0.43
▸ LNPEP Q9UIQ6 5/20 0.40
▸ CARM1 Q86X55 1/20 0.38
▸ FKBP1A P62942 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC2A1 P11166 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
SCHEMBL15127991 0.76 GPR88 (0.48) GPR88CARM1SMN1; SMN2L3MBTL1
SCHEMBL11904814 0.73 GPR88 (0.55) GPR88CARM1FKBP1ASMN1; SMN2L3MBTL1
SCHEMBL1554711 0.73 GPR88 (0.55) GPR88CARM1FKBP1ASMN1; SMN2L3MBTL1
SCHEMBL1554714 0.73 GPR88 (0.55) GPR88CARM1FKBP1ASMN1; SMN2L3MBTL1
SCHEMBL15134951 0.71 GPR88 (0.45) GPR88CARM1FKBP1ASMN1; SMN2L3MBTL1
SCHEMBL19347299 0.71 SKP2 (0.41) ATM
SCHEMBL12431876 0.70 GPR88 (0.45) GPR88LNPEPPPARGPPARANPSR1
SCHEMBL31664434 0.70 SMN1; SMN2 (0.40) GPR88CARM1FKBP1ASMN1; SMN2TDP1
SCHEMBL27823826 0.69 GPR88 (0.44) GPR88LNPEPPPARGPPARASMN1; SMN2
SCHEMBL31664414 0.69 SMN1; SMN2 (0.45) GPR88CARM1FKBP1ASMN1; SMN2TDP1

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
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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