SCHEMBL7942450

SCHEMBL7942450

COc1c(C)cc(CCCO)cc1C(C)(C)C.COc1c(CCCO)cc(C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.37
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
DHFR P00374 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
VCAM1 P19320 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL6123748 0.89 TNKS2 (0.44) TNKS2DHFRCYP3A4ALDH1A1VCAM1
SCHEMBL6567754 0.89 HSPA5 (0.44) TNKS2HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL6568685 0.88 HSPA5 (0.42) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7933672 0.87 TNKS2 (0.41) TNKS2SMN1; SMN2DHFRCYP3A4ALDH1A1
SCHEMBL6567280 0.81 DHFR (0.37) TNKS2CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6568715 0.81 TNKS2 (0.49) TNKS2CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6566985 0.79 TNKS2 (0.44) TNKS2CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6568742 0.79 TNKS2 (0.42) TNKS2HSPA5DHFRCYP3A4VCAM1
SCHEMBL6567445 0.78 TNKS2 (0.41) TNKS2ALDH1A1
SCHEMBL6567714 0.78 TNKS2 (0.41) TNKS2SMN1; SMN2CYP3A4

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 1 patent. 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