SCHEMBL8734654

SCHEMBL8734654

NC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
LAP3 P28838 1/20 0.52
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.45
EGFR P00533 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
CTSS P25774 1/20 0.45
TACR2 P21452 2/20 0.44
REN P00797 1/20 0.44
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL8734213 0.82 YAP1 (0.47) KMT2AGAAALDH1A1MAPTL3MBTL1
SCHEMBL8735984 0.78 CTSD (0.49) CTSSTACR2
SCHEMBL7423810 0.76 LTA4H (0.57) LTA4HLAP3REN
SCHEMBL8945772 0.75 LTA4H (0.56) LTA4HLAP3REN
SCHEMBL7418126 0.73 LTA4H (0.53) LTA4HLAP3REN
SCHEMBL11117435 0.73 MAPT (0.67) KMT2AGAAALDH1A1MAPTEGFR
SCHEMBL8945580 0.72 LTA4H (0.54) LTA4HLAP3SMN1; SMN2REN
SCHEMBL5648270 0.71 KMT2A (0.68) KMT2AGAAALDH1A1MAPTEGFR
SCHEMBL7425726 0.71 LTA4H (0.51) LTA4HLAP3REN
SCHEMBL5811902 0.71 LTA4H (0.80) LTA4HLAP3REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
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