SCHEMBL11329631

SCHEMBL11329631

CCCCc1cc(C)cc(Cc2cc(C)cc(C(C)(C)C)c2O)c1OP(=O)(Oc1c(CCCC)cc(C)cc1Cc1cc(C)cc(C(C)(C)C)c1O)Oc1c(CCCC)cc(C)cc1Cc1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP2D6 P10635 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HMGCR P04035 3/20 0.35
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
NR1I2 O75469 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11210499 0.86 HSPA5 (0.67) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL456042 0.80 HSPA5 (0.51) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL9114680 0.79 HSPA5 (0.66) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28981884 0.79 HSPA5 (0.71) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL11321233 0.78 HSPA5 (0.65) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Phosphoric Acid SCHEMBL7735677 0.77 HSPA5 (0.77) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Phosphoric Acid SCHEMBL11210498 0.77 HSPA5 (0.83) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
Methoxymethane SCHEMBL9414514 0.76 HSPA5 (0.89) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL824479 0.75 HSPA5 (0.57) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL12750201 0.75 HSPA5 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4308196-A HIGH MOLECULAR WEIGHT HINDERED PHENOL PHOSPHATE OR HINDERED PHENOL CYANURATE MOBAY CHEMICAL CORPORATION (US) 1981-12-29 US claimed