SCHEMBL7603207

SCHEMBL7603207

O=C(O)NCCOC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 1/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 3/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL13100724 0.87 HPGD (0.74) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL16248438 0.86 LMNA (0.61) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL9309788 0.86 TDP1 (0.59) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL1526930 0.86 TDP1 (0.59) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL7185156 0.85 LMNA (0.60) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL28554560 0.84 TDP1 (0.58) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL6408925 0.83 TDP1 (0.56) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL28322559 0.83 LMNA (0.62) TDP1LMNAALDH1A1HPGDKMT2A
SCHEMBL18972439 0.82 POLB (0.71) LMNAALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL137486 0.82 TDP1 (0.83) TDP1LMNAALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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