SCHEMBL6174203

SCHEMBL6174203

C[Si](C)(C)CC=C(OC(=O)O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
NR4A2 P43354 5/20 0.56
SMPD1 P17405 1/20 0.52
SRD5A2 P31213 1/20 0.51
PTPN1 P18031 1/20 0.50
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NAAA Q02083 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6174201 0.93 MAOB (0.57) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL27352953 0.90 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL2152475 0.74 MAOB (0.73) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL68983 0.74 MAOB (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL339009 0.74 NR4A2 (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7908051 0.74 SRD5A2 (0.85) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL30207018 0.74 NR4A2 (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
Hydrochloric Acid SCHEMBL4748074 0.72 NR4A2 (0.97) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL3442746 0.72 NR4A2 (0.79) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL2498876 0.72 MAOB (0.64) MAOBNR4A2SMPD1SRD5A2PTPN1

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
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
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