SCHEMBL3163229

SCHEMBL3163229

Cc1cc(C(C)(C)C)c(C(OPP)(c2c(C(C)(C)C)cc(C)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 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
SCHEMBL9192461 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4201014 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28378334 0.75 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30991117 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29475354 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3258980 0.71 HSPA5 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL192003 0.69 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29458701 0.68 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30122609 0.68 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29353402 0.68 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR

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-1876205-B1 BIODEGRADABLE RESIN COMPOSITION, AND MOLDED BODY AND PRODUCTION METHOD THEREOF UNITIKA LTD (JP) 2010-03-17 EP disclosed