SCHEMBL8962697

SCHEMBL8962697

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.54
THRA P10827 5/20 0.52
THRB P10828 5/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 1/20 0.50
RARB P10826 3/20 0.48
PLA2G2A P14555 1/20 0.48
PLK1 P53350 1/20 0.47

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
SCHEMBL8962432 0.88 THRB (0.53) PTPN11THRATHRBTP53TSHR
SCHEMBL7820620 0.87 PTPN11 (0.64) PTPN11THRATHRBTP53TSHR
SCHEMBL5492191 0.87 PTPN11 (0.64) PTPN11THRATHRBTP53TSHR
SCHEMBL27726801 0.86 PTPN11 (0.55) PTPN11THRATHRBTP53TSHR
SCHEMBL11237589 0.83 THRA (0.67) PTPN11THRATHRBTP53TSHR
SCHEMBL12432167 0.83 THRA (0.67) PTPN11THRATHRBTP53TSHR
SCHEMBL1750042 0.82 PTPN11 (0.57) PTPN11THRATHRBTP53TSHR
SCHEMBL8962693 0.81 PTPN11 (0.53) PTPN11THRATHRBTP53TSHR
SCHEMBL8962705 0.81 PTPN11 (0.53) PTPN11THRATHRBTP53TSHR
SCHEMBL20919872 0.81 PTPN11 (0.57) PTPN11THRATHRBTP53TSHR

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