SCHEMBL4749367

SCHEMBL4749367

CCOCCOC1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
LIPG Q9Y5X9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL20745110 0.83 LIPC (0.34) EPHX2LIPG
SCHEMBL600619 0.82 CHRM2 (0.32) GAA
SCHEMBL600575 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27888454 0.81 EPHX2 (0.46) EPHX2LIPGALDH1A1TSHRNPC1
SCHEMBL3010206 0.80 KMT2A (0.34)
SCHEMBL1574372 0.78 CRBN (0.36) EPHX2LIPGTSHRNPC1
SCHEMBL27536365 0.77 EPHX2 (0.41) EPHX2LIPGALDH1A1TSHRNPC1
SCHEMBL9405869 0.77 EPHX2 (0.40) EPHX2ALDH1A1TSHRHPGD
SCHEMBL21047710 0.76 GBA1 (0.40) EPHX2ALDH1A1TSHRHPGD
SCHEMBL21047634 0.76 GBA1 (0.40) EPHX2ALDH1A1TSHRHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed