SCHEMBL12718609

SCHEMBL12718609

CCCC(O)c1ccc(-c2ccc(C3CCC(/C=C/c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ ACACB O00763 3/20 0.30

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
SCHEMBL12716197 0.93 MEN1 (0.33) MEN1KMT2APTGS2DRD2HTR2A
SCHEMBL12718163 0.92 — —
SCHEMBL12823666 0.92 PTGS2 (0.36) MEN1KMT2APTGS2FFAR4CAMKK1
SCHEMBL12718377 0.91 ACACB (0.31) ACACB
SCHEMBL14766266 0.89 FFAR4 (0.36) MEN1KMT2AFFAR4CAMKK1CAMKK2
SCHEMBL12822879 0.88 ESR1 (0.30) —
SCHEMBL12716180 0.87 FAAH (0.30) —
SCHEMBL12822536 0.87 FAAH (0.30) —
SCHEMBL12739303 0.86 FFAR4 (0.34) FFAR4CAMKK1CAMKK2
SCHEMBL14766746 0.86 FFAR4 (0.38) FFAR4CAMKK1CAMKK2

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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
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
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