SCHEMBL8538155

SCHEMBL8538155

CCOC(=O)CCCCCCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.44
ADRA1A P35348 1/20 0.44
TBXAS1 P24557 2/20 0.43
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PDE5A O76074 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PTPN1 P18031 1/20 0.41
F2RL3 Q96RI0 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL8537242 0.87 PPARG (0.46) ADRA1ACSNK1A1TYRO3DYRK1BPDE5A
SCHEMBL8541110 0.84 FABP4 (0.49) ADRA1ATBXAS1CSNK1A1TYRO3DYRK1B
SCHEMBL8538135 0.84 FABP4 (0.49) ADRA1ATBXAS1CSNK1A1TYRO3DYRK1B
SCHEMBL8538071 0.83 FABP4 (0.50) ADRA1ATBXAS1CSNK1A1TYRO3DYRK1B
SCHEMBL27397039 0.79 KDM4E (0.56) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL8539809 0.79 CYP4F2 (0.53) CSNK1A1TYRO3DYRK1BCYP4F2CYP4A11
SCHEMBL3403159 0.77 ADRA1A (0.58) ADRA1ACSNK1A1TYRO3DYRK1BPDE5A
SCHEMBL8538145 0.76 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BPDE5A
SCHEMBL8541667 0.76 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BPDE5A
SCHEMBL10950023 0.75 DHFR (0.47) TBXAS1CYSLTR2CYSLTR1PDE4APDE4B

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed