SCHEMBL28654489

SCHEMBL28654489

CCOC(=O)C1CCC([C@H]2C[C@@H](N)c3ccc(OC(F)(F)F)cc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
FFAR4 Q5NUL3 3/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 2/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR2 P41597 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
SCHEMBL28667044 1.00 POLB (0.45) POLBFFAR4PKMKMT2AHTT
SCHEMBL28667043 1.00 POLB (0.45) POLBFFAR4PKMKMT2AHTT
SCHEMBL28668105 1.00 POLB (0.45) POLBFFAR4PKMKMT2AHTT
SCHEMBL28928279 1.00 POLB (0.45) POLBFFAR4PKMKMT2AHTT
SCHEMBL28654487 1.00 POLB (0.45) POLBFFAR4PKMKMT2AHTT
SCHEMBL28663235 0.90 POLB (0.41) POLBPKMKMT2AHTTHSD11B1
SCHEMBL28663234 0.90 POLB (0.41) POLBPKMKMT2AHTTHSD11B1
SCHEMBL28667112 0.90 POLB (0.41) POLBPKMKMT2AHTTHSD11B1
SCHEMBL28667113 0.90 POLB (0.41) POLBPKMKMT2AHTTHSD11B1
SCHEMBL28667096 0.89 ALDH1A1 (0.44) POLBKMT2AHTTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed