SCHEMBL7940426

SCHEMBL7940426

CCC(CO)OCc1cc(C)cc(C(C)(C)C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2R P25116 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
SCHEMBL7944931 0.87 TSHR (0.34) CYP2C9CYP2C19ALDH1A1TSHRTDP1
SCHEMBL7944818 0.86 HSPA5 (0.40) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941333 0.79 F2R (0.33) ALDH1A1TSHRTDP1F2R
SCHEMBL7940191 0.75 HSPA5 (0.41) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL14999492 0.75 HSPA5 (0.46) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944827 0.73 RARG (0.34) CYP2C9CYP2C19ALDH1A1TSHRTDP1
SCHEMBL6567754 0.72 HSPA5 (0.44) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7942407 0.71 KMT2A (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6568685 0.71 HSPA5 (0.42) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8400777 0.69 ALDH1A1 (0.40) ALDH1A1CA2POLBTSHR

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
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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 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