SCHEMBL10831723

SCHEMBL10831723

COC(=O)CO[C@@H]1[C@@H](NC(=O)C(C)C)[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAG P20916 1/20 0.34
▸ GSTP1 P09211 2/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ BCHE P06276 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL10832088 0.93 L3MBTL1 (0.59) L3MBTL1MAGGSTP1HCRTR2HCRTR1
SCHEMBL10832730 0.91 L3MBTL1 (0.61) L3MBTL1MAGGSTP1HCRTR2HCRTR1
SCHEMBL10382694 0.89 L3MBTL1 (0.48) L3MBTL1MAGGSTP1BCHECYP2C9
SCHEMBL10832365 0.86 L3MBTL1 (0.45) L3MBTL1MAGGSTP1HCRTR2HCRTR1
SCHEMBL10382700 0.81 L3MBTL1 (0.43) L3MBTL1GSTP1HCRTR2HCRTR1BCHE
SCHEMBL10947656 0.81 L3MBTL1 (0.52) L3MBTL1MAGGSTP1HCRTR2BCHE
SCHEMBL9473154 0.80 L3MBTL1 (0.53) L3MBTL1MAGHCRTR2CYP2C9CYP2C19
SCHEMBL10831595 0.80 L3MBTL1 (0.40) L3MBTL1
SCHEMBL5308210 0.77 L3MBTL1 (0.54) L3MBTL1MAGTMEM97SIGMAR1POLB
SCHEMBL1836110 0.77 L3MBTL1 (0.54) L3MBTL1MAGTMEM97SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4574058-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1986-03-04 — — US disclosed
US-4446128-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1984-05-01 — — US disclosed
US-4397844-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1983-08-09 — — US disclosed
EP-0003833-B1 ANTIGEN DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-07-20 — — EP disclosed
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