SCHEMBL13586172

SCHEMBL13586172

CCCC(O)c1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 1/20 0.35
ACACB O00763 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CPS1 P31327 2/20 0.34
APP P05067 1/20 0.33
DHODH Q02127 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
SCHEMBL12823932 0.93 CPS1 (0.36) PTGS2CAMKK1CAMKK2FFAR4FFAR1
SCHEMBL12823486 0.91 FFAR4 (0.34) FFAR4FFAR1ACACB
SCHEMBL12823489 0.91 ACACB (0.33) FFAR4FFAR1ACACB
SCHEMBL12822780 0.91 PTGS2 (0.39) PTGS2CAMKK1CAMKK2FFAR4FFAR1
SCHEMBL12823524 0.90 TYR (0.34) FFAR4APP
SCHEMBL14766060 0.90 FFAR4 (0.43) CAMKK1CAMKK2FFAR4FFAR1CPS1
SCHEMBL12822684 0.87 ACACB (0.33) PTGS2CAMKK1CAMKK2FFAR4ACACB
SCHEMBL14766505 0.87 FFAR4 (0.46) CAMKK1CAMKK2FFAR4FFAR1CPS1
SCHEMBL12737859 0.87 FFAR4 (0.39) CAMKK1CAMKK2FFAR4FFAR1CPS1
SCHEMBL12823487 0.87 CPS1 (0.41) CAMKK1CAMKK2FFAR4FFAR1CPS1

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed