SCHEMBL9878237

SCHEMBL9878237

CC(=O)c1ccc(O)c(I)c1O.CCC(=O)c1ccc(OC(C)=O)c(I)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSP90AB1 P08238 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PIM1 P11309 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HMGCR P04035 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
CFD P00746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7324689 0.91 RAB9A (0.41) KDM4EHSP90AB1MAPTSMN1; SMN2PIM1
SCHEMBL9878242 0.85 PIM1 (0.39) KDM4EMAPTSMN1; SMN2PIM1MEN1
SCHEMBL12231276 0.82 HSP90AB1 (0.52) KDM4EHSP90AB1MAPTMEN1KMT2A
SCHEMBL31069850 0.77 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31069851 0.77 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL481238 0.77 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7324849 0.75 MAPT (0.57) HSP90AB1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL28836032 0.74 KDM4E (0.41) KDM4EMAPTSMN1; SMN2PIM1MEN1
SCHEMBL6331318 0.71 MAPT (0.49) KDM4EMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9816215 0.68 PRKCI (0.46) KDM4EHSP90AB1MAPTSMN1; SMN2MEN1

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
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed