SCHEMBL8853482

SCHEMBL8853482

O=C(Oc1ccc(Cc2cccnc2)cc1)Oc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.59
LTA4H P09960 2/20 0.50
NAPRT Q6XQN6 1/20 0.49
KMT2A Q03164 1/20 0.48
PTAFR P25105 1/20 0.46

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
SCHEMBL10824493 0.82 TBXAS1 (0.50) TBXAS1LTA4HKMT2APTAFR
SCHEMBL5478152 0.81 LTA4H (0.55) LTA4H
SCHEMBL11063442 0.80 TBXAS1 (0.62) TBXAS1LTA4HNAPRT
SCHEMBL8060201 0.79 SRD5A2 (0.58) LTA4H
Hydrochloric Acid SCHEMBL11068513 0.79 TBXAS1 (0.63) TBXAS1LTA4HNAPRT
SCHEMBL5651827 0.79 LIPE (0.54) TBXAS1LTA4HKMT2A
SCHEMBL1601592 0.78 LTA4H (0.63) TBXAS1LTA4HKMT2APTAFR
SCHEMBL4744549 0.77 KMT2A (0.54) KMT2A
SCHEMBL11063546 0.77 PPARA (0.56) TBXAS1
SCHEMBL11068453 0.77 TBXAS1 (0.65) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed