SCHEMBL8945580

SCHEMBL8945580

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
LAP3 P28838 1/20 0.51
REN P00797 1/20 0.49
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
MAOB P27338 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARG P37231 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSD P07339 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
SCHEMBL7421085 0.91 LTA4H (0.55) LTA4HLAP3RENIL1RNERAP2
SCHEMBL8945490 0.91 LTA4H (0.55) LTA4HLAP3RENIL1RNERAP2
SCHEMBL8945507 0.91 LTA4H (0.55) LTA4HLAP3RENIL1RNERAP2
SCHEMBL7414344 0.85 LTA4H (0.49) LTA4HLAP3RENIL1RNERAP2
SCHEMBL7420013 0.84 LTA4H (0.48) LTA4HLAP3RENIL1RNERAP2
SCHEMBL8945503 0.84 REN (0.49) LTA4HREN
SCHEMBL7425402 0.84 LTA4H (0.48) LTA4HLAP3RENIL1RNERAP2
SCHEMBL7418126 0.82 LTA4H (0.53) LTA4HLAP3RENMAOBPPARG
SCHEMBL7423810 0.82 LTA4H (0.57) LTA4HLAP3RENPPARG
SCHEMBL8945683 0.82 CTSD (0.52) RENCTSD

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