SCHEMBL22926441

SCHEMBL22926441

O=Cc1ccc(-c2cccc(OC3CC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.57
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A4 P31645 1/20 0.46
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.43
EPHX2 P34913 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ELANE P08246 1/20 0.39
DHODH Q02127 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH1 P35367 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
SCHEMBL15382502 0.83 ALDH1A1 (0.53) DRD1EPHX2KDM4EALDH1A1
SCHEMBL2692882 0.82 SRC (0.50) ALDH1A1HRH1
SCHEMBL29956659 0.82 SRC (0.50) ALDH1A1HRH1
SCHEMBL1337871 0.80 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4FFAR4FFAR1
SCHEMBL15748348 0.79 ENPP2 (0.52) DRD1SLC6A2SLC6A3SLC6A4FFAR4
SCHEMBL22926134 0.78 DRD1 (0.54) DRD1FFAR4FFAR1
SCHEMBL833489 0.77 ALDH1A1 (0.58) DRD1EPHX2KDM4EALDH1A1HRH1
SCHEMBL2581063 0.77 DRD1 (0.64) DRD1ALDH1A1
SCHEMBL21459754 0.77 SRC (0.49) FFAR4ALDH1A1HRH1
SCHEMBL17190313 0.76 ALDH1A1 (0.46) DRD1EPHX2KDM4EALDH1A1

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-3587406-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) 2021-01-27 EP disclosed