SCHEMBL10694587

SCHEMBL10694587

CCc1ccc2cc3ccccc3c(OCCCCl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.38
KIF11 P52732 1/20 0.36
SLC2A1 P11166 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 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
SCHEMBL29371017 0.90 CYP1A2 (0.46) CYP1A2CYP2A6L3MBTL1SLC2A1PGR
SCHEMBL23089902 0.90 CYP1A2 (0.46) CYP1A2CYP2A6L3MBTL1SLC2A1PGR
SCHEMBL10693006 0.89 HTR1B (0.45) CYP1A2CYP2A6KIF11SLC2A1HDAC3
SCHEMBL23089949 0.89 CYP1A2 (0.45) CYP1A2CYP2A6L3MBTL1SLC2A1HDAC3
SCHEMBL29372406 0.89 CYP1A2 (0.45) CYP1A2CYP2A6L3MBTL1SLC2A1HDAC3
SCHEMBL23089973 0.88 CYP1A2 (0.47) CYP1A2CYP2A6L3MBTL1KIF11SLC2A1
SCHEMBL29370971 0.88 CYP1A2 (0.47) CYP1A2CYP2A6L3MBTL1KIF11SLC2A1
SCHEMBL23089953 0.87 CYP1A2 (0.44) CYP1A2CYP2A6L3MBTL1SLC2A1HDAC3
SCHEMBL23089942 0.87 CYP1A2 (0.44) CYP1A2CYP2A6L3MBTL1SLC2A1HDAC3
SCHEMBL23089929 0.87 CYP1A2 (0.44) CYP1A2CYP2A6L3MBTL1SLC2A1HDAC3

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