SCHEMBL7912438

SCHEMBL7912438

C=C(C)c1cc2c(cc1OCCC)CCCO2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
CYSLTR1 Q9Y271 2/20 0.33
CA9 Q16790 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
TBXAS1 P24557 1/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1D P28221 1/20 0.32

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
SCHEMBL2581757 0.85 CTNNB1 (0.34) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL2581753 0.85 CTNNB1 (0.34) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL2589225 0.83 CA9 (0.47) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL27825218 0.81 CTNNB1 (0.34) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL15472216 0.81 NPC1 (0.40) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL2575763 0.81 LTB4R (0.35) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL2575766 0.81 LTB4R (0.35) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL27825249 0.80 CTNNB1 (0.42) CTNNB1WNT3AMEN1KMT2ANPC1
SCHEMBL2581752 0.79 CA9 (0.48) MEN1KMT2ANPC1RAB9ALTB4R
SCHEMBL2461062 0.79 KDM4E (0.42) CTNNB1WNT3AMEN1KMT2AHTR2C

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
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed