SCHEMBL17627802

SCHEMBL17627802

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(C=O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 3/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSPA5 P11021 2/20 0.36
GAA P10253 4/20 0.34
LMNA P02545 2/20 0.34
GSR P00390 2/20 0.34
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 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
SCHEMBL10021816 0.77 GABRA1 (0.37) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL6008016 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL31588520 0.77 PTGDR2 (0.36) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL8514613 0.77 HSPA5 (0.41) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL1252920 0.76 ALDH1A1 (0.45) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL2461602 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL7029847 0.72 CA1 (0.55) ALDH1A1MAPK1CYP3A4GAALMNA
SCHEMBL4589719 0.72 HSPA5 (0.55) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL941426 0.70 DHFR (0.41) ALDH1A1TSHRHIF1AMEN1CYP1A2
SCHEMBL39559 0.70 ALDH1A1 (0.63) ALDH1A1TSHRHIF1AMEN1CYP1A2

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-20160090477-A1 Consistent Slip Masterbatch for Polyethylene Films INGENIA POLYMERS, INC. 2016-03-31 US disclosed