SCHEMBL9060947

SCHEMBL9060947

OCCCCCCOc1cc(F)ccc1-c1cccc(F)c1OCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PDK2 Q15119 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
KDM4E B2RXH2 2/20 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
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.34
GCK P35557 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL23752181 0.79 ALOX5AP (0.46) ALOX5APFEN1CYP11B1CYP11B2PDK2
SCHEMBL9060963 0.75 FFAR4 (0.40) ALOX5APFEN1PDK2FFAR4KDM4E
SCHEMBL1006460 0.74 L3MBTL1 (0.42) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL1007452 0.74 GRM2 (0.46) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL1008448 0.73 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL1938293 0.73 MEN1 (0.51) KDM4EMEN1ALDH1A1KMT2ACNR2
SCHEMBL30292273 0.73 SMN1; SMN2 (0.50) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL6002091 0.72 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL20398212 0.71 SMN1; SMN2 (0.52) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL2470550 0.70 MRGPRX4 (0.59) L3MBTL1TDP1KDM4EMEN1ALDH1A1

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
JP-8301808-A None JP disclosed
JP-H08301808-A ALPHA OMEGA-DIHYDROXY COMPOUND AND ITS USE HONSHU CHEM IND CO LTD 1996-11-19 JP disclosed