SCHEMBL8538071

SCHEMBL8538071

O=C(O)CCCCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.50
FABP3 P05413 6/20 0.50
ADRA1A P35348 1/20 0.49
CSNK1A1 P48729 1/20 0.48
TYRO3 Q06418 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
TBXAS1 P24557 2/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PDE5A O76074 1/20 0.43
SNCA P37840 1/20 0.42
TBXA2R P21731 2/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL8538135 0.99 FABP4 (0.49) FABP4FABP3ADRA1ACSNK1A1TYRO3
SCHEMBL8541110 0.99 FABP4 (0.49) FABP4FABP3ADRA1ACSNK1A1TYRO3
SCHEMBL8537242 0.86 PPARG (0.46) ADRA1ACSNK1A1TYRO3DYRK1BALDH1A1
SCHEMBL8542537 0.83 POLB (0.55) ADRA1ACSNK1A1TYRO3DYRK1BALDH1A1
SCHEMBL8538155 0.83 PDK2 (0.44) ADRA1ACSNK1A1TYRO3DYRK1BTBXAS1
SCHEMBL8615627 0.81 ADRA1A (0.53) ADRA1ACSNK1A1TYRO3DYRK1BTP53
SCHEMBL8538145 0.80 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BTP53
SCHEMBL8541667 0.80 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BTP53
SCHEMBL8537029 0.77 ADRA1A (0.50) ADRA1ACSNK1A1TYRO3DYRK1BALDH1A1
SCHEMBL8660737 0.77 KDM4E (0.62) FABP4FABP3ALDH1A1TP53SMN1; SMN2

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