SCHEMBL3936735

SCHEMBL3936735

CCC(NC1CCCC1)C1(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
EPHX2 P34913 4/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3989590 0.95 EPHX1 (0.37) EPHX1EPHX2POLBLMNASMN1; SMN2
SCHEMBL3986979 0.77 ALDH1A1 (0.38) EPHX1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3933529 0.75 CYP2C19 (0.31) ALDH1A1CYP2C19
SCHEMBL10321971 0.69 LMNA (0.44) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL10319950 0.69 LMNA (0.44) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL1288426 0.69 LMNA (0.44) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL16439941 0.68 LMNA (0.43) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL4988968 0.68 EPHX1 (0.46) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL14605829 0.68 EPHX1 (0.46) EPHX1EPHX2LMNASMN1; SMN2KDM4E
SCHEMBL31294147 0.68 EPHX1 (0.46) EPHX1EPHX2LMNASMN1; SMN2KDM4E

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-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed