SCHEMBL4220907

SCHEMBL4220907

Cc1cc(-c2cc(C)cc(C(C)(C)C)c2C=CC(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CA2 P00918 2/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
HSPA5 P11021 1/20 0.45
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 3/20 0.44
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
TNFRSF1A P19438 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL475645 0.83 HSPA5 (0.63) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4413753 0.83 HSPA5 (0.63) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7189547 0.81 HSPA5 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL809463 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4886301 0.79 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30782815 0.79 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4153743 0.78 CYP2C9 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL6866098 0.77 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7200424 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19732823 0.76 HSPA5 (0.49) 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
US-20090186987-A1 Processing Conditions Of Polyethylene Articles In Course Of Their Manufacture By Melt Processing CLARIANT FINANCE (BVI) LIMITED (VG) 2009-07-23 US disclosed