SCHEMBL6853706

SCHEMBL6853706

NC(CCc1ccccn1)(CCc1ccccn1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.44
KCNA5 P22460 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNA3 P22001 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL8728359 0.84 CA12 (0.45) CYP1A2TDP1HPGDALOX15POLB
SCHEMBL6856046 0.80 CYP1A2 (0.54) CYP1A2TDP1HPGDALOX15POLB
SCHEMBL20224970 0.76 L3MBTL1 (0.51) CYP1A2TDP1HPGDALOX15POLB
SCHEMBL28295662 0.75 ALDH1A1 (0.47) TDP1SMN1; SMN2LMNACYP3A4ALDH1A1
SCHEMBL20224957 0.74 SMN1; SMN2 (0.58) CYP1A2TDP1HPGDALOX15POLB
SCHEMBL160429 0.73 KCNA5 (0.67) CYP1A2TDP1HPGDALOX15KCNA5
SCHEMBL5917187 0.73 ALDH1A1 (0.64) TDP1HPGDALOX15POLBKCNA5
SCHEMBL27791622 0.72 POLB (0.62) CYP1A2TDP1HPGDALOX15POLB
SCHEMBL21239496 0.72 ALDH1A1 (0.55) TDP1HPGDSMN1; SMN2NPC1LMNA
SCHEMBL6532240 0.72 CYP1A2 (0.58) CYP1A2TDP1HPGDALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
US-5519134-A ANTIINFLAMMATORY AGENTS ISIS PHARMACEUTICALS, INC. (US) 1996-05-21 US disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed