SCHEMBL12716728

SCHEMBL12716728

CC(O)C1CCC(c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ FFAR1 O14842 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ABCB11 O95342 1/20 0.32
▸ FEN1 P39748 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ GYS1 P13807 1/20 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
SCHEMBL12822802 0.89 NR1H4 (0.33) SLC6A2SLC6A4SLC6A3HTR1ANR1H4
SCHEMBL12821293 0.89 FEN1 (0.36) SLC6A2SLC6A4SLC6A3HTR1AFFAR1
SCHEMBL12822960 0.89 FEN1 (0.36) SLC6A2SLC6A4SLC6A3HTR1AFFAR1
SCHEMBL12823319 0.88 FFAR1 (0.38) SLC6A2SLC6A4SLC6A3HTR1ANR1H4
SCHEMBL12717157 0.87 NAAA (0.39) SLC6A2SLC6A4SLC6A3HTR1ANR1H4
SCHEMBL13586394 0.84 FFAR1 (0.41) NR1H4F10FFAR1FEN1
SCHEMBL12717888 0.84 FFAR1 (0.32) FFAR1BRD4ABCB11FEN1PTGDR
SCHEMBL12717454 0.84 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1ANR1H4
SCHEMBL12822767 0.84 ERN1 (0.36) SLC6A2SLC6A4SLC6A3HTR1ANR1H4
SCHEMBL12908119 0.84 NAAA (0.34) SLC6A2SLC6A4SLC6A3HTR1ANR1H4

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
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
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