SCHEMBL7942407

SCHEMBL7942407

COc1c(CNCCO)cc(C)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 3/20 0.49
GSR P00390 2/20 0.47
HSPA5 P11021 1/20 0.41
CYP2C19 P33261 3/20 0.40
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CD274 Q9NZQ7 2/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8399034 0.86 KMT2A (0.51) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL7942924 0.81 GSR (0.62) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL7940306 0.81 KMT2A (0.46) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL7942257 0.79 GSR (0.69) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL7940282 0.78 ALDH1A1 (0.51) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL6567754 0.78 HSPA5 (0.44) CYP2D6CYP2C9HSPA5CYP2C19HIF1A
SCHEMBL7942370 0.77 GSR (0.61) KMT2ACYP2D6CYP2C9CYP1A2GSR
SCHEMBL6568685 0.77 HSPA5 (0.42) CYP2D6CYP2C9HSPA5CYP2C19HIF1A
SCHEMBL7940191 0.75 HSPA5 (0.41) CYP2D6CYP2C9HSPA5CYP2C19HIF1A
SCHEMBL14999492 0.75 HSPA5 (0.46) CYP2D6CYP2C9HSPA5CYP2C19HIF1A

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