SCHEMBL7420013

SCHEMBL7420013

CC(C)[C@H](COCc1ccccn1)NC(=O)C(F)(F)C(O)C(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.48
LAP3 P28838 1/20 0.43
MAOB P27338 2/20 0.43
REN P00797 1/20 0.43
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
ENPP2 Q13822 1/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37

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 0.92 LTA4H (0.55) LTA4HLAP3MAOBRENIL1RN
SCHEMBL8945507 0.92 LTA4H (0.55) LTA4HLAP3MAOBRENIL1RN
SCHEMBL7476893 0.91 PGR (0.39) LTA4HMAOBRENIL1RNERAP2
SCHEMBL7421085 0.88 LTA4H (0.55) LTA4HLAP3MAOBRENIL1RN
SCHEMBL7425402 0.88 LTA4H (0.48) LTA4HLAP3MAOBRENIL1RN
SCHEMBL7421310 0.87 REN (0.49) MAOBRENENPP2PPARA
SCHEMBL7414344 0.85 LTA4H (0.49) LTA4HLAP3MAOBRENIL1RN
SCHEMBL8945580 0.84 LTA4H (0.54) LTA4HLAP3MAOBRENIL1RN
SCHEMBL8054257 0.84 CTSD (0.48) REN
SCHEMBL7418126 0.81 LTA4H (0.53) LTA4HLAP3MAOBRENPPARA

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
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed