SCHEMBL8620129

SCHEMBL8620129

COC(C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
EPHX1 P07099 2/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL20492121 1.00 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL12409013 0.84
SCHEMBL2649714 0.84 ALDH1A1 (0.50) SHBGCA12CA1CA2MMP2
SCHEMBL2649703 0.84 ALDH1A1 (0.50) SHBGCA12CA1CA2MMP2
SCHEMBL3698331 0.82 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL15233756 0.82 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL11844930 0.82 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL9426750 0.81 SHBG (0.34) SHBGEPHX1
SCHEMBL2270514 0.79 SHBG (0.38) SHBGEPHX1CA12CA1CA2
SCHEMBL4068617 0.78 SHBG (0.39) 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
EP-0844260-A1 Olefin polymerization catalyst, prepolymerized catalyst, and olefin polymerization process Mitsui Chemicals, Inc. (JP) 1998-05-27 EP disclosed