SCHEMBL8962432

SCHEMBL8962432

CC=CCOc1cc(OCCCCCCCC)ccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.53
THRA P10827 8/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PTPN11 Q06124 1/20 0.46
PLA2G4A P47712 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8962697 0.88 PTPN11 (0.54) THRBTHRAPTPN11TP53TSHR
SCHEMBL19549621 0.87 MAOA (0.60) THRBTHRAMAOAMAOBPTPN11
SCHEMBL16482859 0.83 MAOA (0.54) THRBTHRAMAOAMAOBPTPN11
SCHEMBL8962430 0.82 MAOA (0.51) THRBTHRAMAOAMAOBPTPN11
SCHEMBL8962434 0.82 MAOA (0.51) THRBTHRAMAOAMAOBPTPN11
SCHEMBL5096583 0.81 MAOA (0.52) THRBTHRAMAOAMAOBPTPN11
SCHEMBL16836640 0.81 MAOA (0.62) THRBTHRAMAOAMAOBPTPN11
SCHEMBL4304885 0.79 HDAC3 (0.54) THRBTHRAMAOAMAOBCNR1
SCHEMBL8085882 0.79 MAOA (0.60) THRBTHRAMAOAMAOBPTPN11
SCHEMBL22439018 0.79 PTPN11 (0.55) THRBTHRAMAOAMAOBPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554706-A LOW TEMPERATURE LIQUID CRYSTALS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0695770-A1 COPOLYMER HAVING LIQUID CRYSTAL GROUP IN THE SIDE CHAIN SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-02-07 EP disclosed