SCHEMBL30645136

SCHEMBL30645136

COC(=O)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
FFAR1 O14842 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NR3C2 P08235 1/20 0.49
MAOB P27338 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 1/20 0.49
ACP3 P15309 1/20 0.49
CNR1 P21554 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL365306 1.00 FFAR4 (0.54) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL12993003 0.86 SIRT2 (0.49) FFAR4KDM4EMEN1KMT2AHDAC8
SCHEMBL11244569 0.86 FFAR1 (0.76) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL28191746 0.85 FFAR4 (0.52) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL6173881 0.85 FFAR4 (0.52) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL901880 0.85 FFAR4 (0.55) FFAR4KDM4EKMT2AFFAR1TAAR1
SCHEMBL14026853 0.85 MAOB (0.47) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL10868609 0.85 FFAR4 (0.45) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL10868603 0.85 FFAR4 (0.45) FFAR4KDM4EMEN1KMT2AFFAR1
SCHEMBL12646504 0.85 MAOB (0.57) FFAR4FFAR1MAOB

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
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 CN disclosed