SCHEMBL6175576

SCHEMBL6175576

CCC(CC1CCCCN1S(=O)(=O)c1ccc(C)cc1)c1cc(O)c(Cc2ccccc2C2CC2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 1/20 0.37
RAB9A P51151 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
BDKRB1 P46663 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
SCHEMBL6174279 0.98 RAB9A (0.39) NCOA1NCOA3MAPTMEN1KMT2A
SCHEMBL6174631 0.86 PKM (0.39) MAPTMEN1KMT2ATP53TSHR
SCHEMBL6176212 0.85 ALDH1A1 (0.39) MEN1KMT2ATSHR
SCHEMBL6175570 0.79 MAPT (0.43) NCOA1NCOA3MAPTFKBP1ARAB9A
SCHEMBL6174245 0.77 MAPT (0.40) MAPTFKBP1ARAB9AL3MBTL1TSHR
SCHEMBL6175176 0.71 SLC6A2 (0.31)
SCHEMBL6174501 0.71 L3MBTL1 (0.36) MAPTMEN1KMT2AL3MBTL1TSHR
SCHEMBL6174098 0.71 HPGD (0.36) KMT2AL3MBTL1TSHR
SCHEMBL9274872 0.69 KCNJ6 (0.33) MAPTTP53
SCHEMBL6175218 0.65 ALDH1A1 (0.39) MAPTMEN1KMT2ATSHR

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 6 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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