SCHEMBL7415429

SCHEMBL7415429

CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccc(OC)c(OC)c2)cc(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM1A O60341 2/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 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
SCHEMBL7415428 1.00 ALDH1A1 (0.47) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5567651 0.87 POLB (0.51) TAS1R3TAS1R1TSHRMEN1KMT2A
SCHEMBL5567648 0.87 POLB (0.51) TAS1R3TAS1R1TSHRMEN1KMT2A
SCHEMBL5735485 0.85 PDE4B (0.52) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5735482 0.85 PDE4B (0.52) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5735847 0.85 TAS1R3 (0.48) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5735842 0.85 TAS1R3 (0.48) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL6167355 0.84 PDE4B (0.53) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5734204 0.84 PDE4B (0.53) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1
SCHEMBL5734199 0.84 PDE4B (0.53) ALDH1A1HPGDAPOBEC3GTAS1R3TAS1R1

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-1163226-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-12-19 EP disclosed
WO-2000042018-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed