SCHEMBL8047757

SCHEMBL8047757

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
THRB P10828 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
SCHEMBL8055283 0.93 MAOA (0.36) MAOAMAOB
SCHEMBL8049101 0.92 THRB (0.34) THRB
SCHEMBL8049854 0.88 MAOB (0.38) MAOB
SCHEMBL8037716 0.88 TLR4 (0.36)
SCHEMBL8037555 0.87 MAOA (0.37) MAOAMAOB
SCHEMBL8037558 0.87 MAOA (0.37) MAOAMAOB
SCHEMBL8049846 0.87 TLR4 (0.36)
SCHEMBL8052536 0.86 MAOB (0.40) MAOB
SCHEMBL8049862 0.86 SPHK1 (0.37) THRB
SCHEMBL8047538 0.85 MAOA (0.41) MAOAMAOB

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