SCHEMBL8620310

SCHEMBL8620310

CC(C)OC(C1CCCCC1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
EPHX1 P07099 2/20 0.35
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11055346 0.85 EPHX1 (0.39) SHBGEPHX1TP53
SCHEMBL10260387 0.83 SHBG (0.40) SHBGEPHX1CA12CA1CA2
SCHEMBL10260999 0.83 SHBG (0.40) SHBGEPHX1CA12CA1CA2
SCHEMBL16590946 0.80 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL10260943 0.80 SHBG (0.36) SHBGEPHX1
SCHEMBL28651064 0.79 SHBG (0.33) SHBG
SCHEMBL18636881 0.77 SLC6A3 (0.39) TP53
SCHEMBL24722747 0.77 SHBG (0.38) SHBGEPHX1CA12CA1CA2
SCHEMBL10437743 0.77 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL3313525 0.77 SHBG (0.43) SHBGEPHX1CA12CA1CA2

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
US-5747595-A TRIALKOXYALKYLSILANE TONEN CORPORATION (JP) 1998-05-05 US disclosed