SCHEMBL28686134

SCHEMBL28686134

CC[C@H](C(=O)OC(C)(C)C)C(OC(c1ccc(F)cc1)[C@H](CC)C(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HPGD P15428 1/20 0.34
KLK7 P49862 1/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPR3 P17342 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL7438490 0.79 MEN1 (0.43) APPLMNAKMT2AADRB2ADRB1
SCHEMBL17513198 0.73 FFAR1 (0.41) APPLMNAKMT2AADRB2ADRB1
SCHEMBL27395438 0.72 APP (0.41) APPLMNAKMT2AADRB2ADRB1
SCHEMBL13892363 0.72 KMT2A (0.38) LMNAKMT2ACTSSCTSKMEN1
SCHEMBL15268895 0.72 ROCK1 (0.41) APPADRB2ADRB1ADRB3CTSS
SCHEMBL27637907 0.71 APP (0.40) APPLMNAKMT2AADRB2ADRB1
SCHEMBL14445115 0.70 APP (0.42) APPADRB2ADRB1ADRB3CTSS
SCHEMBL15241731 0.70 FAAH (0.57) LMNAKMT2ACTSSCTSKFAAH
SCHEMBL29169865 0.69 APP (0.41) APPLMNAKMT2AADRB2ADRB1
SCHEMBL15268669 0.69 LMNA (0.44) APPLMNAKMT2AADRB2ADRB1

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-113950477-A Modulators of progranulin and methods of use thereof 阿库达医疗公司 2022-01-18 CN disclosed