SCHEMBL18896231

SCHEMBL18896231

CCC(CC)NC(=O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL21467394 0.85 MEN1 (0.71) GAALMNAKDM4EPOLBHDAC3
SCHEMBL27744991 0.83 GAA (0.54) GAALMNAKDM4EPOLBHDAC3
SCHEMBL31444904 0.82 POLB (0.56) GAALMNAKDM4EPOLBHDAC3
SCHEMBL3377192 0.80 GAA (0.63) GAALMNAPOLBMEN1KMT2A
SCHEMBL24433080 0.79 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2LMNAMEN1
SCHEMBL6366571 0.79 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2LMNAKDM4E
SCHEMBL9280891 0.79 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2LMNAKDM4E
SCHEMBL3341029 0.78 SMN1; SMN2 (0.50) TAS1R3TAS1R1TAS1R2GAALMNA
SCHEMBL29816280 0.77 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2TDP1SMN1; SMN2
SCHEMBL24567579 0.77 GAA (0.59) GAALMNAPOLBMEN1KMT2A

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
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed