SCHEMBL8316591

SCHEMBL8316591

CCOc1ccc(C(C)C=C(CF)COC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ACACB O00763 10/20 0.41
ACACA Q13085 1/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 4/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8316589 1.00 ALDH1A1 (0.50) ALDH1A1ACACBACACAGAALMNA
SCHEMBL8316592 0.75 ACACB (0.44) ALDH1A1ACACBACACAGAALMNA
SCHEMBL8318344 0.70 ALDH1A1 (0.47) ALDH1A1ACACBACACALMNAHPGD
SCHEMBL8318340 0.70 ALDH1A1 (0.47) ALDH1A1ACACBACACALMNAHPGD
SCHEMBL18911104 0.69 ACACB (0.54) ALDH1A1ACACBACACALMNAAKR1C3
SCHEMBL11760446 0.68 ALDH1A1 (1.00) ALDH1A1GAALMNATSHRHPGD
SCHEMBL8372706 0.67 AKR1C3 (0.59) ALDH1A1ACACBACACALMNAAKR1C3
SCHEMBL13034122 0.67 ALDH1A1 (0.60) ALDH1A1ACACBLMNAMEN1CYP1A2
SCHEMBL27513384 0.65 AKR1C3 (0.57) ALDH1A1ACACBACACALMNAAKR1C3
SCHEMBL24747419 0.65 LMNA (0.55) ALDH1A1ACACBACACAGAALMNA

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