SCHEMBL15072085

SCHEMBL15072085

CC(C)=C1C=C2CCC3C(C)(C(=O)OCC(O)CC(OO)C4(C)CCCC5(C)C6CCC(=C(C)C)C=C6CCC45)CCCC3(C)C2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PDK3 Q15120 2/20 0.33
▸ PDK4 Q16654 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SLCO1B3 Q9NPD5 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ F10 P00742 4/20 0.32
▸ NR1H2 P55055 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
SCHEMBL17715031 0.92 MMP2 (0.45) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL16902963 0.92 MMP2 (0.43) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15072074 0.87 MMP2 (0.49) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15072090 0.85 MMP2 (0.39) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15072087 0.83 CYP2C9 (0.59) MMP2CYP2C9CYP2C19MAPTF10
SCHEMBL15076164 0.81 MMP2 (0.44) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL17715030 0.78 MMP2 (0.40) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL16902961 0.77 MMP2 (0.38) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15072086 0.77 HSD17B10 (0.60) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15313391 0.75 MMP2 (0.74) MMP2CYP2C9CYP2C19HSD17B10PDK1

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-8574803-B2 Toner compositions of biodegradable amorphous polyester resins XEROX CORPORATION (US) 2013-11-05 — — US disclosed
US-20130164668-A1 TONER COMPOSITIONS OF BIODEGRADABLE AMORPHOUS POLYESTER RESINS XEROX CORPORATION (US) 2013-06-27 — — US disclosed
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