SCHEMBL6132763

SCHEMBL6132763

COCCCCCCOc1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ACACB O00763 3/20 0.43
▸ HAO1 Q9UJM8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAP3K14 Q99558 1/20 0.38
▸ PIKFYVE Q9Y2I7 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PAK4 O96013 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ ST14 Q9Y5Y6 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
SCHEMBL6133198 1.00 MAPT (0.50) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL6320559 0.88 NR5A1 (0.56) MAPTLMNAL3MBTL1GAANR5A1
SCHEMBL6719797 0.88 MAPT (0.47) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL6324406 0.88 NR5A1 (0.56) MAPTLMNAL3MBTL1GAANR5A1
SCHEMBL7690566 0.84 RARB (0.54) MAPTLMNAL3MBTL1GAANR5A1
SCHEMBL6724461 0.82 MAPT (0.50) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL23169795 0.81 MAPT (0.50) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL27573986 0.79 L3MBTL1 (0.50) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL29018693 0.78 L3MBTL1 (0.66) MAPTLMNAL3MBTL1ACACBHAO1
SCHEMBL17481962 0.77 ACACB (0.45) MAPTACACBHAO1KDM4E

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
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