SCHEMBL14847422

SCHEMBL14847422

COC(=O)c1c(C)ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ VEGFA P15692 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR1H2 P55055 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ADAM17 P78536 1/20 0.40

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
SCHEMBL3201033 0.90 VEGFA (0.47) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL20137050 0.82 VEGFA (0.54) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL23696886 0.79 ALDH1A1 (0.51) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL30097974 0.79 ALDH1A1 (0.51) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL20818719 0.78 ALDH1A1 (0.58) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL30476377 0.78 ALDH1A1 (0.58) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL23301626 0.78 VEGFA (0.45) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL28456381 0.77 VEGFA (0.47) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL30038645 0.77 VEGFA (0.47) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL20136985 0.77 MGLL (0.62) MGLLALDH1A1VEGFAEGLN1KDM4E

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-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed
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