SCHEMBL8037810

SCHEMBL8037810

C=CCCC1=CCC(c2ccc(-c3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.36
CYP11B2 P19099 18/20 0.36
CTSC P53634 2/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL8052298 0.92 CYP11B1 (0.34) CYP11B1CYP11B2CTSCCTSK
SCHEMBL8049219 0.87 CYP17A1 (0.31) CYP11B1CYP11B2
SCHEMBL8047922 0.83 HRH3 (0.36)
SCHEMBL8037680 0.82 PTGS1 (0.32)
SCHEMBL8050118 0.80 FASN (0.31)
SCHEMBL8055003 0.80 DRD2 (0.32)
SCHEMBL8055258 0.78
SCHEMBL8047681 0.77 HTR2A (0.32)
SCHEMBL8055221 0.77 MMP9 (0.34)
SCHEMBL8037929 0.76 KCNJ1 (0.34)

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