SCHEMBL6174501

SCHEMBL6174501

CCC(CCN1CCOCC1)c1cc(O)c(Cc2ccccc2C2CC2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 5/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.34
C5AR1 P21730 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL6175176 0.84 SLC6A2 (0.31) CNR1
SCHEMBL9274872 0.76 KCNJ6 (0.33) MAPTSMN1; SMN2
SCHEMBL6174098 0.74 HPGD (0.36) L3MBTL1KMT2AKDM4ETSHRALDH1A1
SCHEMBL6176212 0.73 ALDH1A1 (0.39) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL6174279 0.72 RAB9A (0.39) L3MBTL1KMT2AMEN1MAPT
SCHEMBL6175576 0.71 NCOA1 (0.40) L3MBTL1KMT2AMEN1TSHRMAPT
SCHEMBL6174140 0.70 CNR2 (0.34) CYP2D6CNR2ALDH1A1CYP1A2CYP2C19
SCHEMBL6174706 0.70 CYP2D6 (0.38) KMT2AMEN1KDM4ETSHRCYP2D6
SCHEMBL6177242 0.70 TYR (0.35) KDM4ECNR2ALDH1A1MAPTNPSR1
SCHEMBL6175611 0.70

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 8 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
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