SCHEMBL28043823

SCHEMBL28043823

C1CCC(C2CCCC2)C1.CC=C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PTGS1 P23219 1/20 0.31
AKR1C3 P42330 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
RXRA P19793 1/20 0.31
GABRB3 P28472 1/20 0.31
RXRB P28702 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 1/20 0.31
HSD11B1 P28845 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL28380140 0.90 PTGS1 (0.33) ALDH1A1PTGS1AKR1C3GABRA1TSHR
SCHEMBL6294173 0.84 CA1 (0.37) ALDH1A1PTGS1AKR1C3GABRA1TSHR
SCHEMBL940622 0.82 PTGS1 (0.37) PTGS1AKR1C3
SCHEMBL20586201 0.82 PTGS1 (0.37) PTGS1AKR1C3
Cyclohexane SCHEMBL220149 0.82 PTGS1 (0.37) PTGS1AKR1C3
SCHEMBL28626882 0.82 PTGS1 (0.37) PTGS1AKR1C3
SCHEMBL30447270 0.80 HTT (0.34) ALDH1A1HSD11B1HCRTR2
SCHEMBL23802668 0.79
Acetic Acid SCHEMBL28848294 0.79 ALDH1A1 (0.53) ALDH1A1HSD11B1
SCHEMBL1396002 0.79 FFAR3 (0.43) ALDH1A1PTGS1AKR1C3TSHR

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-105093773-A Method for preparing electrophoretic particles, electrophoretic particles, electrophoretic dispersion, electrophoretic sheet, electrophoretic apparatus, and electronic device SEIKO EPSON CORP 2015-11-25 CN disclosed