SCHEMBL6853606

SCHEMBL6853606

CCOC(=O)[C@H](C)NCc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL10917121 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHTTTP53GAA
SCHEMBL1356508 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ETP53GAAPOLB
SCHEMBL1356510 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ETP53GAAPOLB
SCHEMBL9365794 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHTTTP53GAA
SCHEMBL9403764 0.77 HSD17B10 (0.61) ALDH1A1KDM4EHTTTP53TSHR
SCHEMBL4170765 0.76 ALDH1A1 (0.73) ALDH1A1HTTTP53GAATSHR
SCHEMBL13915547 0.76 ALDH1A1 (0.73) ALDH1A1HTTTP53GAATSHR
SCHEMBL4170764 0.76 ALDH1A1 (0.73) ALDH1A1HTTTP53GAATSHR
SCHEMBL1878484 0.75 SMN1; SMN2 (0.53) L3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL30929593 0.75 SMN1; SMN2 (0.53) L3MBTL1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US disclosed
WO-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed