SCHEMBL8945507

SCHEMBL8945507

CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(O)C(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
LAP3 P28838 1/20 0.49
REN P00797 1/20 0.48
MAOB P27338 2/20 0.46
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL8945490 1.00 LTA4H (0.55) LTA4HLAP3RENMAOBIL1RN
SCHEMBL7421085 0.94 LTA4H (0.55) LTA4HLAP3RENMAOBIL1RN
SCHEMBL7425402 0.93 LTA4H (0.48) LTA4HLAP3RENMAOBIL1RN
SCHEMBL7420013 0.92 LTA4H (0.48) LTA4HLAP3RENMAOBIL1RN
SCHEMBL7414344 0.91 LTA4H (0.49) LTA4HLAP3RENMAOBIL1RN
SCHEMBL8945580 0.91 LTA4H (0.54) LTA4HLAP3RENMAOBIL1RN
SCHEMBL7418126 0.89 LTA4H (0.53) LTA4HLAP3RENMAOBLNPEP
SCHEMBL8945614 0.85 REN (0.47) LTA4HRENMAOBPPARG
SCHEMBL8945512 0.85 REN (0.47) LTA4HRENMAOBPPARG
SCHEMBL8945246 0.82 CTSD (0.53) LTA4HREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed