SCHEMBL9004261

SCHEMBL9004261

Fc1ccccc1C1(C2CCCCC2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL18611832 0.88 HDAC4 (0.41) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL2589110 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL527776 0.86 HDAC4 (0.45) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL10601663 0.82 HDAC4 (0.38) HDAC4SLC6A2SLC6A4SLC6A3PSEN1
SCHEMBL10336534 0.79 CYP1A2 (0.36) HDAC4SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL28465330 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL944385 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8636017 0.77 HDAC4 (0.36) HDAC4SLC6A2SLC6A4SLC6A3PSEN1
SCHEMBL4379605 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL11041604 0.75 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571916-B1 A liquid crystal composition and a liquid crystal display containing it CHISSO CORP (JP) 1996-10-02 EP disclosed
EP-0656412-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE MADE THEREFROM CHISSO CORPORATION (JP) 1995-06-07 EP disclosed
US-5358662-A Mixture; cyano-free CHISSO CORPORATION (JP) 1994-10-25 US disclosed
EP-0571916-A1 A liquid crystal composition and a liquid crystal display containing it Chisso Corporation (JP) 1993-12-01 EP disclosed