SCHEMBL6132216

SCHEMBL6132216

CCOC(=O)c1ccc(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 5/20 0.53
POLB P06746 2/20 0.53
TRPV6 Q9H1D0 1/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 1/20 0.44
HSP90AA1 P07900 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FDFT1 P37268 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL63474 0.93 ALDH1A1 (0.59) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL64407 0.88 ALDH1A1 (0.58) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6132519 0.88 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6132488 0.88 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6132487 0.88 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL63892 0.88 ALDH1A1 (0.63) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6135228 0.88 ALDH1A1 (0.67) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6134915 0.86 ALDH1A1 (0.65) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6135234 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL6538435 0.85 ALDH1A1 (0.60) MEN1KMT2AALDH1A1POLBHPGD

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