SCHEMBL1866729

SCHEMBL1866729

CC/C=C\CCOC(=O)C(C)CC.CCC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
CYP19A1 P11511 4/20 0.37
PPARG P37231 3/20 0.37
OXER1 Q8TDS5 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
PTGS1 P23219 3/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARA Q07869 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
NR1I2 O75469 2/20 0.35
PTGS2 P35354 2/20 0.35
PGR P06401 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 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
SCHEMBL2639724 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL309639 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL8954842 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL30879530 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL2039579 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL309638 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL2639723 0.93 ADORA3 (0.39) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL18076480 0.82 HCAR2 (0.33) ALOX15
SCHEMBL18076479 0.82 HCAR2 (0.33) ALOX15
SCHEMBL28237071 0.82 GRIK1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1

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-2011056934-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed