SCHEMBL8092365

SCHEMBL8092365

CCCC(CCN1CCCCC1)Oc1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOB P27338 4/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27303530 0.78 LTA4H (0.34) LTA4H
SCHEMBL8087480 0.78 SLC6A3 (0.40) SLC6A2SLC6A4
SCHEMBL8090557 0.77 MAPK1 (0.39) ALDH1A1HRH3TP53MAPTTHRB
SCHEMBL8079026 0.77 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL8090438 0.76 TAS1R3 (0.30)
SCHEMBL6933362 0.74 LTA4H (0.30) LTA4H
SCHEMBL8086261 0.74 CYP1A2 (0.31) LTA4H
SCHEMBL8087296 0.73 LTA4H (0.32) LTA4H
SCHEMBL1418831 0.73 LTA4H (0.56) LTA4HALDH1A1HRH3PSMB1PSMB5
SCHEMBL3167090 0.72 HRH3 (0.60) ALDH1A1HRH3KDM4ESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed