SCHEMBL10109797

SCHEMBL10109797

CC(=O)CCc1cc(F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.41
FFAR1 O14842 6/20 0.40
FFAR4 Q5NUL3 5/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
F2R P25116 2/20 0.37
MPO P05164 1/20 0.37
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NOTUM Q6P988 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL12261416 0.84 FFAR1 (0.55) FFAR1FFAR4PKM
SCHEMBL1405167 0.81 IAPP (0.50) IAPPFFAR1FFAR4ALDH1A1LMNA
SCHEMBL8231223 0.81 NPSR1 (0.44) IAPPFFAR1FFAR4ALDH1A1LMNA
SCHEMBL28688067 0.81 FFAR4 (0.46) IAPPFFAR4ALDH1A1LMNAPKM
SCHEMBL31248058 0.80 CYP4F2 (0.50) FFAR1FFAR4ALDH1A1LMNAKDM4E
SCHEMBL25386733 0.79 IAPP (0.41) IAPPFFAR4ALDH1A1LMNAKDM4E
SCHEMBL31627780 0.79 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL534533 0.79 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL21222818 0.79 MAOB (0.53) IAPPFFAR1FFAR4RIPK1MAOB
SCHEMBL30488619 0.79 MAOB (0.53) IAPPFFAR1FFAR4RIPK1MAOB

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-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed