SCHEMBL3258980

SCHEMBL3258980

Cc1cc(C(C)(C)C)c(C(OP(=O)(O)OP(=O)(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 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BTN3A1 O00481 1/20 0.31

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
Pyrophosphoric Acid SCHEMBL29354220 0.80 HSPA5 (0.37) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8530620 0.73 SRC (0.38) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Phosphoric Acid SCHEMBL30363099 0.73 SMN1; SMN2 (0.40) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL9192461 0.73 SMN1; SMN2 (0.40) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL4201014 0.72 SMN1; SMN2 (0.39) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL3163229 0.71 SMN1; SMN2 (0.38) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28378334 0.70 SMN1; SMN2 (0.37) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Pyrophosphoric Acid SCHEMBL30494703 0.69 NR5A2 (0.32)
SCHEMBL5181891 0.68 BTN3A1 (0.34) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL1537344 0.68 HSPA5 (0.36) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163577-B9 Chain-extenders and foamed thermoplastic cellular materials obtained by reactive extrusion process and with help of said chain-extenders ARMACELL ENTERPRISE GMBH (DE) 2013-07-10 EP disclosed
EP-2163577-B1 Chain-extenders and foamed thermoplastic cellular materials obtained by reactive extrusion process and with help of said chain-extenders ARMACELL ENTERPRISE GMBH (DE) 2012-08-15 EP disclosed
EP-2163577-A1 Foamed thermoplastic cellular materials obtained by reactive extrusion process and with help of chain-extenders Armacell Enterprise GmbH (DE) 2010-03-17 EP disclosed