SCHEMBL7600192

SCHEMBL7600192

O=C(O)NCCCN(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7598509 0.88 CA12 (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EALOX15
SCHEMBL21196736 0.88 CA12 (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EALOX15
SCHEMBL25292439 0.85 ALDH1A1 (0.50) ALDH1A1GAAALOX15LMNADRD2
SCHEMBL18074396 0.83 KDM5A (0.47) ALDH1A1GAAKDM4ELMNADRD2
SCHEMBL11146017 0.83 DRD2 (0.49) ALDH1A1GAAKDM4EALOX15DRD2
SCHEMBL7617282 0.83 KDM5A (0.47) ALDH1A1GAAKDM4ELMNADRD2
SCHEMBL7900843 0.80 ACHE (0.40) ALDH1A1ALOX15DNM1NAAA
SCHEMBL17415969 0.80 ALDH1A1 (0.62) ALDH1A1GAAKDM4EALOX15LMNA
SCHEMBL13519566 0.80 EPHX1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPK1PAOX
SCHEMBL20548058 0.79 NAAA (0.47) ALDH1A1DNM1NAAA

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
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP claimed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP claimed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US claimed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed