SCHEMBL5486305

SCHEMBL5486305

O=C(O)C12CC3CC(C1)CC(C(=O)O)(C3)C2.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.45
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RBP4 P02753 1/20 0.40
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14493665 0.97 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL164232 0.97 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL13589980 0.97 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1061966 0.95 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712251 0.95 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712253 0.95 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5562998 0.89 L3MBTL1 (0.51) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL30528314 0.87 ALDH1A1 (0.51) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL18364484 0.87 L3MBTL1 (0.50) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5860019 0.87 ALDH1A1 (0.56) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA

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
US-20070037909-A1 Diamondoid-based nucleating agents for thermoplastics CHEVRON U.S.A. INC. (US) 2007-02-15 US disclosed