SCHEMBL28685351

SCHEMBL28685351

CCC=CCCC=CC(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
CYP19A1 P11511 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
RXRA P19793 2/20 0.42
FFAR1 O14842 2/20 0.42
PPARA Q07869 3/20 0.42
PTGS1 P23219 4/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
KMT2A Q03164 2/20 0.40
PPARD Q03181 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10946153 0.87 GRIK1 (0.37) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL1717439 0.87 GRIK1 (0.37) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL1717440 0.87 GRIK1 (0.37) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL16445194 0.82 CA1 (0.34)
SCHEMBL28580091 0.80 F7 (0.46) ALDH1A1MAPTCYP19A1PPARGPPARA
SCHEMBL1771144 0.80 F7 (0.46) ALDH1A1MAPTCYP19A1PPARGPPARA
SCHEMBL17629173 0.80 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL1771141 0.80 F7 (0.46) ALDH1A1MAPTCYP19A1PPARGPPARA
SCHEMBL17629174 0.80 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL1716437 0.80 ALDH1A1 (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
CN-114080385-A Herbicidal compounds 先正达农作物保护股份公司 2022-02-22 CN disclosed