SCHEMBL20061639

SCHEMBL20061639

CC(C)C1=CCC2C(=C1)CCC1[C@]2(C)CCC[C@]1(C)C(=O)OCC(COC(=O)[C@@]1(C)CCC[C@]2(C)C3CC=C(C(C)C)C=C3CCC21)OC(=O)[C@@]1(C)CCC[C@]2(C)C3CC=C(C(C)C)C=C3CCC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ PDK1 Q15118 2/20 0.39
▸ PDK2 Q15119 2/20 0.39
▸ PDK3 Q15120 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE4D Q08499 1/20 0.36
▸ MAPK1 P28482 2/20 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
SCHEMBL22055979 0.89 MMP2 (0.38) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL20067224 0.89 MMP2 (0.36) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL15072082 0.88 MMP2 (0.43) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL20067895 0.85 MMP2 (0.52) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL19879575 0.85 MMP2 (0.52) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL17715030 0.84 MMP2 (0.40) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL15072090 0.83 MMP2 (0.39) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL15076117 0.83 MMP2 (0.39) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL11029865 0.82 MMP2 (0.64) MMP2HSD17B10ALOX15PDK1PDK2
SCHEMBL152258 0.82 MMP2 (0.64) MMP2HSD17B10ALOX15PDK1PDK2

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-20180104913-A1 REMOVABLE SUPPORT MATERIAL FOR ADDITIVE MANUFACTURING XEROX CORPORATION 2018-04-19 — — US disclosed
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