SCHEMBL8316592

SCHEMBL8316592

CCOc1ccc(C(C)C=C(F)C(C)OC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.44
ACACA Q13085 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8316591 0.75 ALDH1A1 (0.50) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL8316589 0.75 ALDH1A1 (0.50) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL18911104 0.75 ACACB (0.54) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL8372706 0.70 AKR1C3 (0.59) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL27513384 0.68 AKR1C3 (0.57) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL7437991 0.68 ACACB (0.46) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL24747435 0.67 LMNA (0.55) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL24747419 0.67 LMNA (0.55) ACACBACACAAKR1C3AKR1C2LMNA
SCHEMBL5881684 0.66 AKR1C3 (0.73) ACACBAKR1C3AKR1C2LMNAALDH1A1
SCHEMBL12475738 0.66 ACACB (0.86) ACACBACACALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880162-A INSECTICIDES FOR SOIL BORNE INSECT PESTS BRITISH TECHNOLOGY GROUP, LTD. (GB) 1999-03-09 US disclosed
EP-0757668-A1 PESTICIDAL FLUOROOLEFINS British Technology Group Ltd. (GB) 1997-02-12 EP disclosed
WO-1995029887-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-09 WO disclosed