SCHEMBL8037680

SCHEMBL8037680

C=CCCC1=CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 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
SCHEMBL8055258 0.96
SCHEMBL8047537 0.91
SCHEMBL8049219 0.88 CYP17A1 (0.31)
SCHEMBL8055221 0.87 MMP9 (0.34)
SCHEMBL8047929 0.87 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL8047513 0.85 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL8054980 0.85
SCHEMBL8055392 0.85 ESR2 (0.38)
SCHEMBL8047511 0.85 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL8055238 0.84 SPHK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9221433-A None JP disclosed
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
JP-H09221433-A LIQUID CRYSTALLINE ALKENYLCYCLOHEXENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORP 1997-08-26 JP disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed