SCHEMBL6175098

SCHEMBL6175098

CCCC1(c2ccccc2)CC(O)=C(C(=CC[Si](C)(C)C)c2cccc(OCc3ccccc3)c2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
NR4A2 P43354 1/20 0.39
HPD P32754 2/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMPD1 P17405 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
SRD5A2 P31213 1/20 0.36
HIF1A Q16665 1/20 0.36
PTPN1 P18031 1/20 0.36
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6175092 1.00 MAOB (0.40) MAOBNR4A2HPDNAAAALDH1A1
SCHEMBL9283987 0.90 HPD (0.33) MAOBNR4A2HPDNAAAALDH1A1
SCHEMBL6175492 0.86 LDHA (0.35)
SCHEMBL6175502 0.86 LDHA (0.35)
SCHEMBL6175401 0.82 HPD (0.38) MAOBNR4A2HPDNAAAALDH1A1
SCHEMBL6175406 0.82 HPD (0.38) MAOBNR4A2HPDNAAAALDH1A1
SCHEMBL9275855 0.80 HPD (0.36) MAOBNR4A2HPDNAAAALDH1A1
SCHEMBL9201190 0.79 LDHA (0.32)
SCHEMBL6185030 0.76 KMT2A (0.38) MAOBHPDNAAAKMT2AADAM17
SCHEMBL6175094 0.75 SMN1; SMN2 (0.36) MAOBHPDNAAAKMT2AADAM17

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