SCHEMBL7934245

SCHEMBL7934245

CCCCCc1c(I)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
ALOX5 P09917 5/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
HIF1A Q16665 2/20 0.36
TP53 P04637 1/20 0.36
HSPA5 P11021 2/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
CA1 P00915 1/20 0.35
PTGS2 P35354 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL688310 0.84 ALOX5 (0.42) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL28360773 0.84 ALOX5 (0.42) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL30464707 0.84 ALOX5 (0.42) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL7645053 0.84 CNR1 (0.34) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL7706320 0.83 ALOX5 (0.44) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL28426211 0.83 ALOX5 (0.44) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL6065585 0.81 CYP2C19 (0.43) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL31169458 0.81 HSPA5 (0.40) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL28082100 0.80 NPC1 (0.49) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL7218009 0.78 HSPA5 (0.41) SMN1; SMN2CA2ALDH1A1POLBTYR

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-0817813-B1 POLYOLEFIN COMPOSITION SUITED FOR METAL COATING BY FLAME SPRAYING BASELL NORTH AMERICA INC (US) 2001-09-05 EP disclosed