SCHEMBL7218009

SCHEMBL7218009

CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HIF1A Q16665 3/20 0.40
TYR P14679 3/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPN P05981 1/20 0.37

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
SCHEMBL28503495 0.92 HSPA5 (0.38) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL21384992 0.87 HSPA5 (0.41) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL6065585 0.87 CYP2C19 (0.43) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL31169458 0.86 HSPA5 (0.40) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL28082100 0.85 NPC1 (0.49) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9504918 0.84 PGK1 (0.37) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11457863 0.83 PGK1 (0.36) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL27623644 0.83 NR5A2 (0.36) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9421246 0.83 HSPA5 (0.38) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL28417776 0.83 SMN1; SMN2 (0.39) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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
US-6649770-B1 Exhibit superior hydrolytic stability, handling and storage stability as well as good resistance to extractability when present in stabilized composition CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-18 US disclosed
US-5475042-A Stabilizer for organic polymer promoting heat, radiation and oxidation resistance CIBA-GEIGY CORPORATION (US) 1995-12-12 US disclosed