SCHEMBL16906147

SCHEMBL16906147

CC(C)=C1C=C2CCC3C(C)(OC(=O)CCC(O)CC(=O)OC4(C)CCCC5(C)C6CCC(=C(C)C)C=C6CCC45)CCCC3(C)C2CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ F10 P00742 3/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HSD17B10 Q99714 3/20 0.31
▸ PDK1 Q15118 2/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ PDK3 Q15120 2/20 0.31
▸ PDK4 Q16654 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLCO1B3 Q9NPD5 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17715454 0.88 MMP2 (0.43) MMP2F10CYP2C9CYP2C19HSD17B10
SCHEMBL15076164 0.86 MMP2 (0.44) MMP2F10CYP2C9CYP2C19HSD17B10
SCHEMBL16906149 0.83 MMP2 (0.36) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL16906056 0.80 CYP2C9 (0.56) MMP2F10CYP2C9CYP2C19
SCHEMBL16906028 0.76 HSD17B10 (0.57) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15072074 0.73 MMP2 (0.49) MMP2F10CYP2C9CYP2C19HSD17B10
SCHEMBL17715445 0.73 RXRA (0.57) CYP2C9CYP2C19
SCHEMBL21683371 0.72 CYP19A1 (0.52) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL30619384 0.72 CYP19A1 (0.52) MMP2CYP2C9CYP2C19HSD17B10PDK1
SCHEMBL15313391 0.72 MMP2 (0.74) MMP2F10CYP2C9CYP2C19HSD17B10

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-9328260-B2 Polyester processes XEROX CORPORATION (US) 2016-05-03 — — US disclosed
US-20150197668-A1 POLYESTER PROCESSES XEROX CORPORATION (US) 2015-07-16 — — US disclosed
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