SCHEMBL7872099

SCHEMBL7872099

CC(C)(C)OC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
NR1H2 P55055 2/20 0.41
ELANE P08246 1/20 0.39
ACE P12821 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
NR1H3 Q13133 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
BTK Q06187 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL5207430 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL1782216 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL8353685 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL13305759 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL5207425 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL7876562 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL1782218 1.00 HSD17B10 (0.44) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL24113374 0.99 HSD17B10 (0.45) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL25362467 0.99 HSD17B10 (0.45) HSD17B10NR1H2ELANEACESMN1; SMN2
SCHEMBL3700523 0.93 HSD17B10 (0.45) HSD17B10NR1H2ELANESMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed