SCHEMBL7942997

SCHEMBL7942997

Cc1c(COCCCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.36
VCAM1 P19320 2/20 0.35
CYP2C9 P11712 5/20 0.35
CYP2C19 P33261 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HIF1A Q16665 4/20 0.35
ALDH1A1 P00352 4/20 0.34
CA2 P00918 3/20 0.34
POLB P06746 2/20 0.34
TYR P14679 1/20 0.34
TP53 P04637 2/20 0.33
GSR P00390 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL7940078 0.96 HSPA5 (0.36) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7943106 0.90 HSPA5 (0.38) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7933641 0.85 ALDH1A1 (0.35) VCAM1ALDH1A1TSHRCYP3A4CYP4F2
SCHEMBL7942460 0.81 ALDH1A1 (0.36) VCAM1ALDH1A1TSHRCYP3A4
SCHEMBL7942457 0.81 HSPA5 (0.55) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7941214 0.81 ALDH1A1 (0.42) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7941416 0.77 ALDH1A1 (0.47) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28492613 0.76 HSPA5 (0.43) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7942533 0.76 ALDH1A1 (0.43) HSPA5VCAM1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7940325 0.76 HSPA5 (0.57) HSPA5VCAM1CYP2C9CYP2C19SMN1; 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 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