SCHEMBL11071474

SCHEMBL11071474

CC(C)=C(Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL11547873 0.85 ELANE (0.46) ELANEALDH1A1MAPTGAAHSP90AA1
SCHEMBL27542013 0.85 ELANE (0.47) ELANEALDH1A1MAPTGAAHSP90AA1
SCHEMBL6204756 0.82 ELANE (0.52) ELANEALDH1A1MAPTGAAHSP90AA1
SCHEMBL16893834 0.80 ELANE (0.45) ELANEALDH1A1MAPTGAAHSP90AA1
SCHEMBL16893820 0.77 CES2 (0.41) ELANEALDH1A1MAPTGAAHSP90AA1
Acetic Acid Phenyl Ester SCHEMBL6422166 0.77 ELANE (0.72) ELANEALDH1A1MAPTGAAHSP90AA1
Acetic Acid Phenyl Ester SCHEMBL35500 0.77 ELANE (0.72) ELANEALDH1A1MAPTGAAHSP90AA1
SCHEMBL11449884 0.76 ELANE (0.45) ELANEALDH1A1MAPTGAATDP1
SCHEMBL547579 0.76 CA4 (0.48) ELANEALDH1A1MAPTGAAHSP90AA1
Acetic Acid Phenyl Ester SCHEMBL4054587 0.76 ELANE (0.64) ELANEALDH1A1MAPTGAAHSP90AA1

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
EP-0118685-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-19 EP disclosed
EP-0117412-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-05 EP disclosed