SCHEMBL6132390

SCHEMBL6132390

COCCCCOC1CCN(c2ccccc2-c2nn3cc(-c4ccc(C(=O)O)cc4)nc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 4/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL6132169 0.86 MAPT (0.43) MAPTTP53LMNATHRBCA12
SCHEMBL6132448 0.85 HDAC3 (0.39) MAPTTP53LMNATHRB
SCHEMBL6133896 0.80 TP53 (0.42) MAPTTP53CA12CA1CA2
SCHEMBL6134689 0.79 CA12 (0.40) MAPTTP53LMNATHRBCA12
SCHEMBL6134575 0.78 TP53 (0.43) MAPTTP53THRBCA12CA1
SCHEMBL6135097 0.77 MAPT (0.45) MAPTTP53LMNACA12CA1
SCHEMBL6132920 0.76 MAPT (0.42) MAPTTP53LMNACA12CA1
SCHEMBL6134854 0.76 TP53 (0.45) MAPTTP53THRBCA12CA1
Hydrochloric Acid SCHEMBL6135061 0.76 MAPT (0.44) MAPTTP53LMNACA12CA1
Trifluoroacetic Acid SCHEMBL6132409 0.75 MAPT (0.41) MAPTTP53LMNATHRBCA12

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 3 patents. 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
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed