Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27830718

CC(C)(C)OC=O.O=S(=O)(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)N1CCNCC1

nearest known ligand 0.40

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 2/20 0.40
▸ TYRO3 Q06418 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ PTGES2 Q9H7Z7 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PIM1 P11309 6/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL1034663 0.93 SLC40A1 (0.45) SLC40A1TYRO3XDHPTGES2CCNT1
SCHEMBL1035231 0.85 SLC40A1 (0.44) SLC40A1XDHPTGES2CCNT1CDK9
SCHEMBL1031607 0.85 SLC40A1 (0.47) SLC40A1XDHPTGES2CCNT1CDK9
SCHEMBL17772304 0.83 KDM4E (0.37) SLC40A1PIM1
SCHEMBL1035477 0.82 SLC40A1 (0.40) SLC40A1PTGES2IRAK4PIM1FYN
SCHEMBL27830716 0.80 SLC40A1 (0.40) SLC40A1TYRO3PTGES2CCNT1CDK9
SCHEMBL17772310 0.76 FABP1 (0.39) CHRM3MMP2
SCHEMBL27830723 0.74 SLC40A1 (0.37) SLC40A1TYRO3PTGES2CCNT1CDK9
SCHEMBL1034313 0.69 SLC40A1 (0.49) SLC40A1PTGES2DYRK1A
SCHEMBL1074809 0.68 SLC40A1 (0.48) SLC40A1XDHPTGES2DYRK1A

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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN disclosed
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