SCHEMBL8530620

SCHEMBL8530620

Cc1cc(C(C)(C)C)c(OP(=O)(O)OP(=O)(O)O)c(C(C)(C)C)c1.OCC(CO)(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
HSPA5 P11021 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 1/20 0.33
BTN3A1 O00481 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1537344 0.89 HSPA5 (0.36) SRCHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL13506561 0.84 INPPL1 (0.33) SRCALDH1A1CA2BTN3A1
SCHEMBL5181891 0.81 BTN3A1 (0.34) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Pyrophosphoric Acid SCHEMBL5181896 0.81 HSPA5 (0.36) SRCHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL31337157 0.79 SMN1; SMN2 (0.41) SRCHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8480850 0.78 SRC (0.53) SRCHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL27740008 0.78 HSPA5 (0.44) SRCHSPA5SMN1; SMN2CYP2C19HIF1A
SCHEMBL3635251 0.78 NR5A2 (0.31)
SCHEMBL27739924 0.77 HMGCR (0.33) SRCHSPA5
SCHEMBL23610386 0.76 HSPA5 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088239-A1 FLAME-RETARDANT HIGH-TOUGHNESS PLA ALLOY MATERIAL, AND PREPARATION METHOD THEREFOR AND USE THEREOF 金发科技股份有限公司 2023-05-25 WO disclosed
US-5777028-A IMPACT STRENGTH AND POLYSTYRENE POLYMER MIXTURES IDEMITSU KOSAN CO., LTD. (JP) 1998-07-07 US disclosed