SCHEMBL8049101

SCHEMBL8049101

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.34
THRA P10827 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK1 Q9NYA1 7/20 0.33
SPHK2 Q9NRA0 4/20 0.32
TNNC1 P63316 3/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL8047757 0.92 MAOA (0.38) THRB
SCHEMBL8037737 0.89 CYP3A4 (0.30) S1PR3
SCHEMBL8049190 0.88 SPHK1 (0.32) THRBTHRASPHK1SPHK2TNNC1
SCHEMBL8049193 0.88 SPHK1 (0.32) THRBTHRASPHK1SPHK2TNNC1
SCHEMBL8055283 0.88 MAOA (0.36)
SCHEMBL8049854 0.85 MAOB (0.38)
SCHEMBL8037716 0.85 TLR4 (0.36)
SCHEMBL8047566 0.84 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL8037685 0.84 TSHR (0.35)
SCHEMBL9355184 0.84 SPHK1 (0.36) SPHK1TNNC1SGPL1S1PR4S1PR1

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