SCHEMBL6132850

SCHEMBL6132850

CCCC(OC)OC1CCN(c2ccc(-c3nn4cc(-c5ccc(C(=O)O)c(CC)c5)nc4s3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.38
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TP53 P04637 2/20 0.35
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 4/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL6132918 0.89 MAPT (0.40) MAPTGAACA12CA1CA2
SCHEMBL6132652 0.87 MAPT (0.40) MAPTGAATP53THRBLMNA
SCHEMBL6134755 0.80 MAPT (0.43) MAPTGAACA12CA1CA2
SCHEMBL6132775 0.75 MAPT (0.42) MAPTCA12CA1CA2CA9
SCHEMBL6132854 0.74 MAPT (0.39) MAPTGAACA12CA1CA2
SCHEMBL6134575 0.74 TP53 (0.43) MAPTGAACA12CA1CA2
SCHEMBL6134854 0.74 TP53 (0.45) MAPTGAACA12CA1CA2
SCHEMBL6132659 0.73 MAPT (0.38) MAPTGAACA12CA1CA2
SCHEMBL6134753 0.73 MAPT (0.39) MAPTGAACA12CA1CA2
SCHEMBL6133896 0.73 TP53 (0.42) MAPTGAACA12CA1CA2

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed