SCHEMBL7774635

SCHEMBL7774635

Fc1ccccc1OC1CCCCO1.Fc1ccccc1OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.39
HTR1A P08908 8/20 0.39
SLC6A3 Q01959 5/20 0.39
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 3/20 0.36
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7232726 1.00 SLC6A2 (0.39) SLC6A2HTR1ASLC6A3KDM4CL3MBTL1
SCHEMBL16089742 0.89 SLC6A2 (0.49) SLC6A2HTR1ASLC6A3KDM4CL3MBTL1
SCHEMBL6342508 0.88 KDM4C (0.41) SLC6A3KDM4CL3MBTL1KMT2AMEN1
SCHEMBL30788461 0.88 KDM4C (0.41) SLC6A3KDM4CL3MBTL1KMT2AMEN1
SCHEMBL5644917 0.84 SLC6A2 (0.41) SLC6A2HTR1ASLC6A3L3MBTL1SLC6A4
SCHEMBL9314761 0.84 L3MBTL1 (0.43) SLC6A2SLC6A3L3MBTL1SLC6A4
SCHEMBL18469601 0.82 PDE4B (0.39) SLC6A2HTR1ASLC6A3L3MBTL1SLC6A4
SCHEMBL17193991 0.81 PTPN1 (0.35) SLC6A2SLC6A3KDM4CL3MBTL1SLC6A4
SCHEMBL1603487 0.81 CYP2D6 (0.41) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL7241320 0.80 ALDH1A1 (0.44) SLC6A2SLC6A3SLC6A4KMT2AMEN1

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-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed