SCHEMBL2830247

SCHEMBL2830247

CCCCc1cc(-c2ccc(-c3ccc(OC(C)OCC4CO4)cc3)cc2)ccc1OC(C)OCC1CO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL2832912 0.93 PPARG (0.32) SMN1; SMN2CA12CA9FFAR4
SCHEMBL2831545 0.89 SRD5A2 (0.37) SMN1; SMN2CA12CA9FFAR4
SCHEMBL2827726 0.84
SCHEMBL2720930 0.83 PPARG (0.36) SMN1; SMN2CA12CA9FFAR4
SCHEMBL2719930 0.81 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL2829820 0.81 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL2834198 0.81 ALDH1A1 (0.33) SMN1; SMN2CA12CA9
SCHEMBL2832491 0.80 TP53 (0.31) SMN1; SMN2
SCHEMBL2719687 0.79 ALDH1A1 (0.45) CNR1CNR2SMN1; SMN2
SCHEMBL15835610 0.79 ALDH1A1 (0.45) CNR1CNR2SMN1; SMN2

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed