SCHEMBL4966632

SCHEMBL4966632

COc1ccc(CC(C)CI)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.41
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NNMT P40261 1/20 0.37
CYP11B1 P15538 1/20 0.36
DAO P14920 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 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
SCHEMBL23482186 0.85 ACACB (0.42) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL4968344 0.83 ACACB (0.44) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL5532478 0.82 ACACB (0.45) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL6266868 0.80 ACACB (0.41) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL13283764 0.79 SLC6A4 (0.55)
SCHEMBL1415143 0.79 ACACB (0.46) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL6262756 0.78 ACACB (0.46) ACACBNNMTKLKB1KDM4EMEN1
SCHEMBL21909727 0.78 KDM1A (0.43) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL24261198 0.76 ACACB (0.40) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL6266472 0.75 TP53 (0.46) ACACBKDM1AMAOAMAOBNNMT

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
WO-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed