SCHEMBL11903588

SCHEMBL11903588

CCC(CC)COc1ccc([C@@H](O)C(N)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 4/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FKBP1A P62942 1/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11903449 0.84 GPR88 (0.48) GPR88SMN1; SMN2PARP10
SCHEMBL11903612 0.79 FFAR1 (0.43) GPR88PARP10MAPT
SCHEMBL15134951 0.78 GPR88 (0.45) GPR88KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL15127992 0.72 GPR88 (0.52) GPR88KMT2AMEN1L3MBTL1FKBP1A
SCHEMBL15054530 0.70 KMT2A (0.60) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28344815 0.68 FKBP1A (0.41) KMT2AMEN1L3MBTL1FKBP1ACARM1
SCHEMBL28816919 0.67 KMT2A (0.60) KMT2AMEN1SMN1; SMN2L3MBTL1FKBP1A
SCHEMBL10352340 0.67 ALDH1A1 (0.45) KMT2AMEN1L3MBTL1MAPT
SCHEMBL15375503 0.67 CD274 (0.44) L3MBTL1PARP10
SCHEMBL772775 0.66 KMT2A (0.67) KMT2AMEN1SMN1; SMN2L3MBTL1FKBP1A

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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