SCHEMBL9201843

SCHEMBL9201843

OCCCc1nnnn1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
PTGS2 P35354 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
USP2 O75604 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9201834 0.84 HSD11B1 (0.54) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL9199985 0.83 HSD11B1 (0.43) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL96765 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5536934 0.77 HSD11B1 (0.49) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL8408605 0.76 AR (0.46) HSD11B1PTGS2ALDH1A1MAPTTSHR
SCHEMBL5546087 0.74 HSD11B1 (0.50) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL5546084 0.74 HSD11B1 (0.50) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL2968359 0.73 HSD11B1 (0.61) HSD11B1PTGS2ALDH1A1LMNAL3MBTL1
SCHEMBL14605979 0.71 HSD11B1 (1.00) HSD11B1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL10672910 0.70 HSD11B1 (0.55) HSD11B1ALDH1A1LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed