SCHEMBL22854014

SCHEMBL22854014

CC(C(=O)O)n1cc(CCCC(=O)C(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MIF P14174 1/20 0.35
HDAC1 Q13547 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL25735013 0.88 CYP19A1 (0.37) CYP19A1POLBMEN1KMT2AMIF
SCHEMBL24878799 0.85 CYP19A1 (0.40) CYP19A1POLBMEN1KMT2AMIF
SCHEMBL22854013 0.84 CYP19A1 (0.39) CYP19A1POLBMEN1KMT2AMIF
SCHEMBL24878496 0.83 CYP19A1 (0.39) CYP19A1POLBMEN1KMT2AMIF
SCHEMBL25734932 0.76 MIF (0.39) MIFHDAC1
SCHEMBL5998647 0.75 NOTUM (0.41) CYP19A1MAPT
SCHEMBL19986373 0.75 CYP19A1 (0.40) CYP19A1POLBHTTATM
SCHEMBL25734930 0.74 GGPS1 (0.45) HDAC1
SCHEMBL25735002 0.73 EPHX2 (0.47) CYP19A1HDAC1
SCHEMBL25735014 0.73 GGPS1 (0.40) CYP19A1HDAC1

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
WO-2020264505-A1 POLYOXAZOLINE-DRUG CONJUGATES WITH NOVEL PHARMACOKINETIC PROPERTIES SERINA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed