SCHEMBL21240104

SCHEMBL21240104

CC(C)(C)c1cccc(C(F)(F)P)c1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN5 P54829 1/20 0.33
HSD11B1 P28845 1/20 0.33
KIF11 P52732 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 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
SCHEMBL20780640 0.86 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12251347 0.82 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL19533102 0.82 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22900082 0.82 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25449841 0.78 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL20048987 0.76 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25449837 0.75 CA2 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25450845 0.75 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25093256 0.75 CA2 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6763814 0.75 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR

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
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed