SCHEMBL6132336

SCHEMBL6132336

CCOC(=O)c1ccc(N2CCN(C3CCC(OC)(C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
CALCA P06881 1/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6132697 0.90 SIRT2 (0.45) ALDH1A1POLBSMN1; SMN2SIRT2SIRT1
SCHEMBL6380498 0.88 HTT (0.45) ALDH1A1POLBSMN1; SMN2MAPTSIRT2
SCHEMBL6132374 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6132596 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6132375 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6132744 0.86 USP2 (0.46) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6134915 0.86 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6135228 0.85 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6132188 0.84 USP2 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL6232059 0.84 USP2 (0.43) ALDH1A1MEN1KMT2A

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