SCHEMBL8971058

SCHEMBL8971058

CCOc1ccc(-c2ccc(-c3ccc(OC(=O)C4CCCCC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
KMT2A Q03164 6/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.44
APP P05067 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL14767085 0.81 FFAR1 (0.41) HPGDFFAR4
SCHEMBL15381774 0.80 HPGD (0.39) HPGDKMT2AHTTMAPTMEN1
SCHEMBL12742361 0.80 FFAR1 (0.36) HPGDFFAR4
SCHEMBL12822867 0.80 HPGD (0.40) HPGDKMT2AHTTKDM4EALDH1A1
SCHEMBL9022369 0.79 KMT2A (0.44) HPGDKMT2AHTTKDM4EAPP
SCHEMBL12742337 0.79 FFAR1 (0.37) HPGDFFAR4
SCHEMBL12742357 0.79 FFAR1 (0.37) HPGDHTTFFAR4
SCHEMBL14767291 0.78 FFAR1 (0.39) HPGDALDH1A1SMN1; SMN2FFAR4
SCHEMBL8971604 0.78 GRM2 (0.38) HPGDHTTAPPMAPTALDH1A1
SCHEMBL8971183 0.78 APP (0.42) HTTAPPMAPTALDH1A1SMN1; SMN2

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed