SCHEMBL20180397

SCHEMBL20180397

CCCc1ccc(C(=O)NCC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.60
POLB P06746 4/20 0.54
CTDSP1 Q9GZU7 3/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ACACB O00763 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
THRB P10828 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MLYCD O95822 2/20 0.46
ESRRB O95718 1/20 0.46
ESRRG P62508 1/20 0.46

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
SCHEMBL4475119 0.87 LMNA (0.64) PLK1POLBGAAALDH1A1LMNA
SCHEMBL1405105 0.84 ACACB (0.52) PLK1POLBALDH1A1LMNAACACB
SCHEMBL10951282 0.83 PLK1 (0.72) PLK1POLBCTDSP1GAAALDH1A1
SCHEMBL27947108 0.81 EPHX2 (0.55) POLBALDH1A1LMNAACACBMLYCD
SCHEMBL506515 0.80 HDAC3 (0.58) POLBALDH1A1LMNAACACB
SCHEMBL10950404 0.80 PLK1 (0.68) PLK1POLBCTDSP1GAAALDH1A1
SCHEMBL397853 0.80 LMNA (0.56) POLBGAAALDH1A1LMNATDP1
SCHEMBL13483863 0.78 RAB9A (0.57) LMNANPC1RAB9AKMT2ATRPV1
SCHEMBL23116863 0.78 GFER (0.53) GAAALDH1A1LMNAACACBNPC1
SCHEMBL12188582 0.78 EPHX2 (0.50) GAAALDH1A1ACACBMLYCDL3MBTL1

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
EP-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 EP disclosed
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 EP disclosed
WO-2018093920-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2018-05-24 WO disclosed