SCHEMBL4201014

SCHEMBL4201014

Cc1cc(C(C)(C)C)c(C(OP(O)O)(c2c(C(C)(C)C)cc(C)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HSPA5 P11021 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL192003 0.90 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28378334 0.82 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8927034 0.80
SCHEMBL9192461 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8927442 0.79 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3280462 0.79 NR5A2 (0.30)
SCHEMBL29445825 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29865276 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29353402 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3163229 0.77 SMN1; SMN2 (0.38) 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-2110404-A2 Flame retardant additive Nissin Chemical Industry Co., Ltd. (JP) 2009-10-21 EP disclosed