SCHEMBL5199652

SCHEMBL5199652

CC(C)(CO)OC(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAMPT P43490 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL10988241 0.90 SMN1; SMN2 (0.46) HPGDSMN1; SMN2MAPTHTTUSP2
SCHEMBL6461610 0.85 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL879545 0.85 HPGD (0.50) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL8041932 0.83 HPGD (0.49) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL3415092 0.83 HPGD (0.49) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL1848025 0.82 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL7500112 0.82 HPGD (0.45) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL7505456 0.81 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL10982828 0.81 USP2 (0.40) HPGDSMN1; SMN2USP2NAMPTNR1H2
SCHEMBL7450069 0.81 HPGD (0.46) HPGDSMN1; SMN2MAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
EP-1660479-A1 PIPERIDYL-QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005012290-A1 PIPERIDYL-QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-02-10 WO disclosed
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 EP disclosed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed
EP-0900218-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-05-23 EP disclosed
EP-0900218-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
WO-1997040044-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed