SCHEMBL30337501

SCHEMBL30337501

CCc1cc(C(C)(C)C)c(O)c(Cc2c(C)c(CC)cc(C(C)(C)C)c2O)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.62
CYP2C9 P11712 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HIF1A Q16665 4/20 0.62
TP53 P04637 1/20 0.62
HSPA5 P11021 2/20 0.50
ALDH1A1 P00352 4/20 0.44
CA2 P00918 3/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
CYP2D6 P10635 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 2/20 0.41
LMNA P02545 4/20 0.40
CYP1A2 P05177 3/20 0.40
RECQL P46063 1/20 0.40
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
MEN1 O00255 3/20 0.38
TSHR P16473 3/20 0.38

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
SCHEMBL833037 0.81 CYP2C19 (0.70) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL9768525 0.79 CYP2C19 (0.68) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL28365843 0.78 CYP2C9 (0.45) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL17102995 0.78 CYP2C19 (0.49) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
Hypophosphorous Acid SCHEMBL11800443 0.77 HSPA5 (0.45) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL31305636 0.77 CYP2C19 (0.55) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL70468 0.76 CYP2C19 (1.00) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL11883439 0.76 SMN1; SMN2 (0.62) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL11141922 0.76 CA2 (0.54) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL11519623 0.75 HSPA5 (0.46) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146890-A Laundry treatment composition comprising polyalkylene carbonate compound 宝洁公司 2024-06-07 CN disclosed
CN-115916935-A Granular laundry detergent additive 宝洁公司 2023-04-04 CN disclosed