SCHEMBL3718993

SCHEMBL3718993

OCCCCCCCCCCCOC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
PNLIP P16233 3/20 0.39
CHRNA7 P36544 9/20 0.38
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
APP P05067 2/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL1891350 0.85 ALDH1A1 (0.43) PPARAMAOB
SCHEMBL7540402 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL21596608 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL7541675 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL7538355 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL23244048 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL6313346 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9
SCHEMBL12189997 0.82 APP (0.36) PPARAAPP
SCHEMBL7541883 0.82 MEN1 (0.46) PPARACHRNA7CHRNA10CHRNA9
SCHEMBL6313349 0.82 EGFR (0.45) CHRNA7CHRNA10CHRNA9

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
WO-2010112831-A1 LIQUID CRYSTAL ELASTOMER BEADS UNIVERSITY OF YORK (GB) 2010-10-07 WO disclosed