SCHEMBL7940191

SCHEMBL7940191

COc1c(COCCO)cc(C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.33
FGFR1 P11362 1/20 0.32
DHFR P00374 1/20 0.32
CA1 P00915 1/20 0.31
ACHE P22303 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
SCHEMBL8397544 0.85 RARG (0.35) SMN1; SMN2CYP2C19HSD17B10ALDH1A1CA2
SCHEMBL7942348 0.82 HSPA5 (0.60) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7933595 0.81 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CA2TSHRTDP1
SCHEMBL6567754 0.79 HSPA5 (0.44) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7940053 0.78 DHFR (0.40) SMN1; SMN2CYP2C9CYP2C19HIF1AALDH1A1
SCHEMBL8430290 0.78 HSPA5 (0.38) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7943125 0.78 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CA2TSHRTDP1
SCHEMBL6568685 0.78 HSPA5 (0.42) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7944818 0.77 HSPA5 (0.40) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8397543 0.77 ALDH1A1 (0.35) SMN1; SMN2CYP2C9CYP2C19HIF1AALDH1A1

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