SCHEMBL6175401

SCHEMBL6175401

C[Si](C)(C)C/C=C(/C1=C(O)CC(c2ccccc2)(C2CCCCC2)OC1=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.38
MAOB P27338 3/20 0.38
NR4A2 P43354 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
HIF1A Q16665 1/20 0.36
NAAA Q02083 1/20 0.36
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMPD1 P17405 1/20 0.35
SRD5A2 P31213 1/20 0.34
PTPN1 P18031 1/20 0.34
MAOA P21397 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
SCHEMBL9275855 0.98 HPD (0.36) HPDMAOBNR4A2KDM2BHIF1A
SCHEMBL6175463 0.91 HPD (0.41) HPDMAOBNR4A2KDM2BHIF1A
SCHEMBL6175472 0.91 HPD (0.41) HPDMAOBNR4A2KDM2BHIF1A
SCHEMBL6175092 0.82 MAOB (0.40) HPDMAOBNR4A2KDM2BHIF1A
SCHEMBL6175404 0.76 SMN1; SMN2 (0.36) HPDMAOB
SCHEMBL6175466 0.75 SMN1; SMN2 (0.39) HPDMAOBNAAAALDH1A1
SCHEMBL9198314 0.74 ALDH1A1 (0.42) MAOBCNR2ALDH1A1MAOA
SCHEMBL9283987 0.74 HPD (0.33) HPDMAOBNR4A2KDM2BHIF1A
SCHEMBL9198735 0.65 LDHA (0.41)
SCHEMBL6174201 0.65 MAOB (0.57) MAOBNR4A2NAAAALDH1A1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 CN disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
CN-1090279-A Be used for the treatment of HIV and other retroviral pyran-2-ones and 5,6-dihydropyrane-2-ketone UPJOHN CO (US) 1994-08-03 CN disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed