SCHEMBL31039858

SCHEMBL31039858

C#CCOC(=O)NCCCC[C@H](NC(=O)OCC#C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ SIRT1 Q96EB6 3/20 0.39
▸ TGM2 P21980 3/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ACHE P22303 4/20 0.36

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
SCHEMBL17411230 1.00 L3MBTL1 (0.40) L3MBTL1ZDHHC20KMT2APOLBSIRT2
SCHEMBL19038323 0.99 L3MBTL1 (0.40) L3MBTL1ZDHHC20KMT2APOLBSIRT2
SCHEMBL19038322 0.94 L3MBTL1 (0.38) L3MBTL1ZDHHC20KMT2APOLBSIRT2
SCHEMBL27446715 0.93 ACHE (0.45) L3MBTL1ZDHHC20SIRT2SIRT1SIRT3
SCHEMBL18532396 0.91 ACHE (0.37) L3MBTL1ZDHHC20SIRT2SIRT1SIRT3
SCHEMBL25176590 0.87 KMT2A (0.45) L3MBTL1KMT2APOLBSIRT2SIRT1
SCHEMBL25176589 0.87 KMT2A (0.45) L3MBTL1KMT2APOLBSIRT2SIRT1
SCHEMBL17411140 0.86 ACHE (0.34) L3MBTL1ZDHHC20SIRT2SIRT1TGM2
SCHEMBL17411320 0.86 ACHE (0.41) KMT2APOLBSIRT2SIRT1ACHE
SCHEMBL16013698 0.85 TGM2 (0.46) SIRT2SIRT1TGM2

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
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 — — EP disclosed
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