SCHEMBL9730948

SCHEMBL9730948

CCCC(=O)OC(C)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALOX15 P16050 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
TSHR P16473 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL11016719 0.88 LMNA (0.40) ALDH1A1LMNAMAPTMAPK1TSHR
SCHEMBL9730301 0.87 LMNA (0.57) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL9731496 0.85 LMNA (0.66) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL6892355 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL27907269 0.84 LMNA (0.52) ALDH1A1LMNAMAPTMAPK1TSHR
SCHEMBL14753124 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL9368378 0.84 LMNA (0.69) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL9730568 0.84 LMNA (0.69) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL9730039 0.84 LMNA (0.69) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL9730256 0.84 LMNA (0.69) ALDH1A1LMNAMAPTMAPK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958678-A1 PEST CONTROL INCLUDING COMBINED MATING DISRUPTION AND TRAPPING Trece, Inc. (US) 2022-03-02 EP disclosed
WO-2020220022-A1 PEST CONTROL INCLUDING COMBINED MATING DISRUPTION AND TRAPPING TRECE, INC. (US) 2020-10-29 WO disclosed
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed