SCHEMBL6174628

SCHEMBL6174628

CCC(CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
CHRM5 P08912 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL6175218 0.91 ALDH1A1 (0.39) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL6174245 0.86 MAPT (0.40) TSHRMAPT
SCHEMBL6175570 0.86 MAPT (0.43) TSHRTP53GAAMAPT
SCHEMBL6175017 0.85 CYP2C9 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6175688 0.82 CYP2C9 (0.38) MEN1KMT2ALMNAHTTCHRM5
SCHEMBL6185573 0.81 CYP2C9 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6174613 0.80 CYP2C9 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL27426853 0.79 VKORC1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL6176061 0.78 CYP2C9 (0.39)
SCHEMBL6174631 0.78 PKM (0.39) PKMALDH1A1MEN1KMT2ALMNA

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 9 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
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
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
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