SCHEMBL9159271

SCHEMBL9159271

C=C(O[Si](C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 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
SCHEMBL9164239 0.88 ALDH1A1 (0.39) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2945134 0.83 POLB (0.41) ALDH1A1MAPK1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL31228371 0.82 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL30115183 0.81 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL26658 0.79 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL8404254 0.76 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9651210 0.75 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9651204 0.75 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL5245374 0.75 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL25600101 0.74 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444685-A Stereospecific synthesis of thienamycin from penicillin MERCK & CO., INC. (US) 1984-04-24 US claimed
EP-0414904-B1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI CHEMICAL IND (JP) 1995-03-29 EP disclosed
US-5071966-A PROCESS FOR PREPARING AN ENOL SILYL ETHER COMPOUND KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-12-10 US disclosed
EP-0414904-A1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4525582-A Silyl, benzyl, p-nitrobenyl, or methyl esters of diazoacetate, a synthon used in the conversion of penicillin to thienamycin MERCK & CO., INC. (US) 1985-06-25 US disclosed
US-4444685-A Stereospecific synthesis of thienamycin from penicillin MERCK & CO., INC. (US) 1984-04-24 US disclosed