SCHEMBL4465857

SCHEMBL4465857

CC1CN=C(c2cc(C3=NCC(C)O3)cc(C3=NCC(C)O3)c2)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ATM Q13315 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 1/20 0.31

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
SCHEMBL2783537 0.86 ALDH1A1 (0.43) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL34460862 0.83 ALDH1A1 (0.41) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL31158574 0.83 ALDH1A1 (0.41) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL9705975 0.82 TTR (0.42) ALDH1A1ATMSMN1; SMN2
SCHEMBL1338840 0.81 ALDH1A1 (0.47) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL9434758 0.75 DAPK3 (0.36) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL31030757 0.75 PDE4A (0.45) ALDH1A1SMN1; SMN2
SCHEMBL13934519 0.75 MEN1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL8280781 0.74 BRD4 (0.38) ALDH1A1ATMNOS3NOS1NOS2
SCHEMBL14154790 0.71 ALDH1A1 (0.42) ALDH1A1ATMNOS3NOS1NOS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592741-B1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES CIBA HOLDING INC (CH) 2009-01-14 EP disclosed
EP-1592741-A1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004063268-A1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO disclosed
EP-0785967-B1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES CIBA SC HOLDING AG (CH) 2002-01-09 EP disclosed
US-5807932-A USING A HYDROXYPHENYLALKYLPHOSPHORIC ESTER CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-15 US disclosed
EP-0785967-A1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES Ciba SC Holding AG (CH) 1997-07-30 EP disclosed
WO-1996011978-A1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1996-04-25 WO disclosed