SCHEMBL7941230

SCHEMBL7941230

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.59
SCN2A Q99250 2/20 0.40
HSPA5 P11021 2/20 0.38
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HIF1A Q16665 4/20 0.37
ALDH1A1 P00352 5/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.34
CYP1A2 P05177 3/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL7944731 0.92 GSR (0.49) GSRSCN2AHSPA5CYP2C9CYP2C19
SCHEMBL7941377 0.90 GSR (0.48) GSRSCN2AHSPA5CYP2C9CYP2C19
SCHEMBL7940306 0.82 KMT2A (0.46) GSRSCN2ACYP2C9ALDH1A1KDM4E
SCHEMBL28492613 0.80 HSPA5 (0.43) GSRHSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7942924 0.79 GSR (0.62) GSRSCN2AHSPA5CYP2C9CYP2C19
SCHEMBL7933905 0.79 GSR (0.62) GSRSCN2AHSPA5CYP2C9CYP2C19
SCHEMBL10708543 0.77 HSPA5 (0.56) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29024185 0.76 GSR (0.46) GSRHSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11376834 0.75 GSR (0.60) GSRSCN2AHSPA5CYP2C9CYP2C19
SCHEMBL7933373 0.74 GSR (1.00) GSRSCN2ACYP2C9CYP2C19SMN1; 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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed