SCHEMBL7202446

SCHEMBL7202446

CCOc1ccc(C2CCCCC2NC(=O)c2ccc(C(=O)OC)cc2)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7202449 1.00 APOBEC3G (0.46) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL7204083 0.87 TAS1R3 (0.51) TAS1R3TAS1R1ALPLRAB9APDE4A
SCHEMBL5053376 0.87 TAS1R3 (0.51) TAS1R3TAS1R1ALPLRAB9APDE4A
SCHEMBL5735842 0.85 TAS1R3 (0.48) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL5735847 0.85 TAS1R3 (0.48) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL6167355 0.84 PDE4B (0.53) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL6167359 0.84 PDE4B (0.53) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL5734204 0.84 PDE4B (0.53) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL5734199 0.84 PDE4B (0.53) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL5735482 0.83 PDE4B (0.52) APOBEC3GTAS1R3TAS1R1ALDH1A1HPGD

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-0882021-B1 NEW PHENANTHRIDINES ALTANA PHARMA AG (DE) 2003-03-05 EP disclosed
US-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed