SCHEMBL6178504

SCHEMBL6178504

CC(Cc1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1)CC1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
CYP2C9 P11712 7/20 0.33
VKORC1 Q9BQB6 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALB P02768 1/20 0.31
PCSK7 Q16549 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6176220 0.86 VKORC1 (0.37) CYP2C9VKORC1LMNATP53MAPT
SCHEMBL27333913 0.85 VKORC1 (0.36) HPGDCYP2C9VKORC1LMNATP53
SCHEMBL6174712 0.84 HPGD (0.33) HPGDCYP2C9VKORC1LMNATP53
SCHEMBL9201359 0.83 CYP2C9 (0.33) HPGDCYP2C9VKORC1LMNAGAA
SCHEMBL6174524 0.82 CYP2C9 (0.36) CYP2C9VKORC1
SCHEMBL9199733 0.81 ELANE (0.33) HPGDCYP2C9VKORC1LMNATP53
SCHEMBL6176564 0.81 CYP2C9 (0.39) HPGDCYP2C9VKORC1KDM4EALDH1A1
SCHEMBL7541486 0.81 VKORC1 (0.35) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6177695 0.80 CYP2C9 (0.38) CYP2C9VKORC1MAPTALDH1A1HSD17B10
SCHEMBL9193978 0.80 MAPK1 (0.34) HPGDMEN1KMT2A

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 1 patent. 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