SCHEMBL13624594

SCHEMBL13624594

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H](CCCO)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ACE P12821 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
FOLH1 Q04609 1/20 0.38
BACE1 P56817 1/20 0.37
AKT1 P31749 2/20 0.37

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
SCHEMBL9977219 0.83 ATM (0.43) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL13489760 0.81 ATM (0.40) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL9977221 0.79 ITGA4 (0.39) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL3198955 0.79 ATM (0.41) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL9977210 0.79 ITGA4 (0.40) ATMITGA4ITGB7CTSSCTSK
SCHEMBL23760082 0.79 TPSAB1 (0.46) L3MBTL1FOLH1
SCHEMBL7658205 0.78 ABCB1 (0.48) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL7023492 0.77 BACE1 (0.40) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL27476267 0.77 BACE1 (0.40) L3MBTL1ATMITGA4ITGB7CTSS
SCHEMBL6316889 0.77 ATM (0.43) L3MBTL1ATMITGA4ITGB7CTSS

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
WO-2008106080-A9 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 WO disclosed
WO-2008106080-A2 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-09-04 WO disclosed