SCHEMBL7944818

SCHEMBL7944818

COc1c(COC(C)CO)cc(C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FGFR1 P11362 1/20 0.34
CYP3A4 P08684 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL7940426 0.86 HSPA5 (0.38) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944827 0.86 RARG (0.34) CYP2C9CYP2C19ALDH1A1TSHRTDP1
SCHEMBL7942911 0.78 ALDH1A1 (0.34) ALDH1A1TSHRTDP1DHFR
SCHEMBL7940191 0.77 HSPA5 (0.41) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL14999492 0.74 HSPA5 (0.46) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6567754 0.74 HSPA5 (0.44) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944931 0.73 TSHR (0.34) CYP2C9CYP2C19ALDH1A1TSHRTDP1
SCHEMBL8401371 0.73 USP2 (0.34) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6568685 0.72 HSPA5 (0.42) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL5857102 0.71 ALDH1A1 (0.52) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed