SCHEMBL6520108

SCHEMBL6520108

CC(C)C(C1CCCC1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
EPHX1 P07099 2/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL6520339 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6524071 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6524219 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6525332 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6526132 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6527173 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL6520191 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL9237351 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL19332953 0.97 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL4653019 0.86

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
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed