SCHEMBL8037733

SCHEMBL8037733

C=CCCC1=CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
EPHX2 P34913 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8052536 0.86 MAOB (0.40) TEAD1
SCHEMBL8049854 0.86 MAOB (0.38)
SCHEMBL8037586 0.85 L3MBTL1 (0.34) TEAD1EPHX2
SCHEMBL8047757 0.84 MAOA (0.38)
SCHEMBL8428201 0.83 DAO (0.36) DRD2DRD4DRD3EPHX2GPR84
SCHEMBL8047538 0.81 MAOA (0.41) BACE1
SCHEMBL8055273 0.81 TBXA2R (0.31)
SCHEMBL8049101 0.81 THRB (0.34)
SCHEMBL8052555 0.80 TEAD1 (0.35) TEAD1DRD2DRD4DRD3GPR84
SCHEMBL8465046 0.79 TSHR (0.34) DRD2DRD4DRD3EPHX2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed