SCHEMBL13639825

SCHEMBL13639825

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
HRH3 Q9Y5N1 4/20 0.46
SRD5A1 P18405 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.43
NAMPT P43490 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL4057679 0.90 SRD5A1 (0.48) KMT2AHRH3SRD5A1POLBLMNA
SCHEMBL22694560 0.79 KMT2A (0.51) KMT2AHRH3SRD5A1LMNASRD5A2
SCHEMBL1375233 0.77 GPR119 (0.54) KMT2ASRD5A1LMNAMAPT
SCHEMBL1376593 0.76 GPR119 (0.53) KMT2APOLB
SCHEMBL4682743 0.76 SRD5A1 (0.67) KMT2AHRH3SRD5A1LMNASRD5A2
SCHEMBL9733728 0.74 ALDH1A1 (0.51) KMT2ALMNA
SCHEMBL27900126 0.73 PARP10 (0.67) KMT2ASRD5A1POLBLMNASRD5A2
SCHEMBL3341121 0.73 POLB (0.54) KMT2ASRD5A1POLBLMNAMAPT
SCHEMBL2636897 0.73 EPHX2 (0.60) KMT2ASRD5A1SRD5A2
SCHEMBL18101745 0.72 PARP10 (0.47) KMT2AHRH3POLBNAMPT

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
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed