SCHEMBL4057679

SCHEMBL4057679

CC(CC(=O)O)C(=O)c1ccc(OC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.48
KMT2A Q03164 5/20 0.47
HRH3 Q9Y5N1 7/20 0.46
SRD5A2 P31213 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
FFAR1 O14842 1/20 0.44
F10 P00742 1/20 0.43
MAPT P10636 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL13639825 0.90 KMT2A (0.47) SRD5A1KMT2AHRH3SRD5A2POLB
SCHEMBL1375233 0.87 GPR119 (0.54) SRD5A1KMT2ALMNAMAPT
SCHEMBL4682743 0.79 SRD5A1 (0.67) SRD5A1KMT2AHRH3SRD5A2LMNA
SCHEMBL22694560 0.77 KMT2A (0.51) SRD5A1KMT2AHRH3SRD5A2LMNA
SCHEMBL27900126 0.76 PARP10 (0.67) SRD5A1KMT2ASRD5A2POLBLMNA
SCHEMBL3341121 0.76 POLB (0.54) SRD5A1KMT2ASRD5A2POLBLMNA
SCHEMBL2636897 0.76 EPHX2 (0.60) SRD5A1KMT2ASRD5A2MEN1
SCHEMBL5931431 0.75 EPHX2 (0.62) SRD5A1KMT2AHRH3SRD5A2LMNA
SCHEMBL18101745 0.74 PARP10 (0.47) KMT2AHRH3POLBMEN1NAMPT
SCHEMBL18101744 0.74 PARP10 (0.47) KMT2AHRH3LMNAMEN1

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
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed