SCHEMBL10692538

SCHEMBL10692538

Cc1cccc2c(OCCCCCl)c3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 4/20 0.42
CYP1A2 P05177 5/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.37
HTR1B P28222 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNA3 P22001 1/20 0.36
SCN8A Q9UQD0 4/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 1/20 0.34

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
SCHEMBL10696007 0.87 HTR1B (0.45) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL10695350 0.87 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL10692959 0.85 HTR1B (0.56) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL10693069 0.84 L3MBTL1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10HTR1B
SCHEMBL10691921 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1
SCHEMBL10693833 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1
SCHEMBL10694532 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1
SCHEMBL10692840 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1
SCHEMBL10693502 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1
SCHEMBL10693825 0.82 L3MBTL1 (0.47) CYP1A2HTR1BSLC6A4KCNA3L3MBTL1

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
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed