SCHEMBL6132775

SCHEMBL6132775

CCC(OC)OC1CCCN(c2ccc(-c3nn4cc(-c5ccc(C(=O)O)cc5)nc4s3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.42
THRB P10828 2/20 0.41
LMNA P02545 5/20 0.40
TP53 P04637 4/20 0.40
PPARA Q07869 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6132652 0.89 MAPT (0.40) MAPTTHRBLMNATP53PPARA
SCHEMBL6132918 0.86 MAPT (0.40) MAPTTHRBLMNATP53POLB
SCHEMBL6134854 0.79 TP53 (0.45) MAPTTHRBTP53CA12CA1
SCHEMBL6132626 0.78 TP53 (0.46) MAPTTP53PPARAPOLBCA12
SCHEMBL6134575 0.77 TP53 (0.43) MAPTTHRBTP53CA12CA1
SCHEMBL6133896 0.76 TP53 (0.42) MAPTTP53CA12CA1CA2
SCHEMBL6132850 0.75 MAPT (0.38) MAPTTHRBLMNATP53CA12
SCHEMBL6134951 0.75 CA12 (0.52) MAPTTHRBLMNATP53CA12
SCHEMBL6132169 0.75 MAPT (0.43) MAPTTHRBLMNATP53CA12
SCHEMBL6135097 0.73 MAPT (0.45) MAPTLMNATP53POLBCA12

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