SCHEMBL28852196

SCHEMBL28852196

CC=CC(=O)OC(CCCC)COc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRA P10827 1/20 0.40
PLA2G4A P47712 1/20 0.40
RARB P10826 3/20 0.39

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
SCHEMBL28256292 0.90 PLA2G4B (0.51) PLA2G4BTP53TSHRPLA2G4ARARB
SCHEMBL28043646 0.82 POLB (0.46) PLA2G4BTP53TSHRKDM4ETHRA
SCHEMBL8086481 0.78 PLA2G4B (0.52) PLA2G4BTP53TSHRKDM4ETHRA
SCHEMBL5512485 0.78 PLA2G4B (0.52) PLA2G4BTP53TSHRPLA2G4ARARB
SCHEMBL7273771 0.77 PLA2G4B (0.51) PLA2G4BTP53TSHRKDM4ETHRA
SCHEMBL8072669 0.75 PLA2G4B (0.54) PLA2G4BTP53TSHRKDM4ETHRA
SCHEMBL6836190 0.75 TP53 (0.71) PLA2G4BTP53TSHRKDM4ETHRA
SCHEMBL6317041 0.73 PLA2G4B (0.56) PLA2G4BTP53TSHRPLA2G4ARARB
SCHEMBL6837189 0.73 TP53 (0.73) PLA2G4BTP53TSHRTHRAPLA2G4A
SCHEMBL8080346 0.73 KDM4E (0.53) PLA2G4BTP53TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037617-B Polymer, liquid crystal aligning layer, liquid crystal display cells and optically anisotropic body DIC株式会社 2017-11-17 CN disclosed