SCHEMBL29074635

SCHEMBL29074635

CCC=CCC(=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
ALDH1A1 P00352 7/20 0.37
CYP19A1 P11511 4/20 0.37
OXER1 Q8TDS5 4/20 0.37
PPARG P37231 3/20 0.37
MAPT P10636 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
PPARA Q07869 3/20 0.36
FABP3 P05413 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP2D6 P10635 1/20 0.35
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PTGS1 P23219 3/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TDP1 Q9NUW8 2/20 0.32
NR1I2 O75469 2/20 0.32

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
SCHEMBL801900 0.83
SCHEMBL839631 0.83
SCHEMBL839630 0.83
SCHEMBL28413101 0.79 ALDH1A1 (0.41) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL15484952 0.79 ALDH1A1 (0.41) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL28441859 0.78 ALDH1A1 (0.38) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL13819787 0.77 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL15223579 0.77 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL17676487 0.77 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL3505065 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116782954-A Antibody-irinotecan conjugates 西纳福克斯股份有限公司 2023-09-19 CN disclosed
CN-116685358-A Method for preparing bioconjugates 西纳福克斯股份有限公司 2023-09-01 CN disclosed