SCHEMBL27337757

SCHEMBL27337757

COC(=O)c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
RAB9A P51151 5/20 0.68
ALDH1A1 P00352 7/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 4/20 0.64
NPC1 O15118 4/20 0.60
LOXL2 Q9Y4K0 1/20 0.59
LMNA P02545 4/20 0.58
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
HPGD P15428 5/20 0.57
TSHR P16473 3/20 0.56
SLC7A5 Q01650 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL6669062 0.92 RAB9A (0.75) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL312910 0.92 TDP1 (0.81) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL22388846 0.88 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL15534582 0.87 RAB9A (0.72) KMT2ATDP1SLC6A2SLC6A3RAB9A
Hydrochloric Acid SCHEMBL6333447 0.87 RAB9A (0.60) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL181934 0.87 TDP1 (0.73) KMT2ATDP1SLC6A2SLC6A3RAB9A
4-Methylbenzoic Acid Methyl Ester SCHEMBL7946632 0.86 MAPT (0.64) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL20830625 0.86 TDP1 (0.67) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL3042201 0.86 ALDH1A1 (0.53) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL13469247 0.85 TDP1 (0.71) KMT2ATDP1SLC6A2SLC6A3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475033-C Cyclopropene supply system ROHM & HAAS (US) 2009-04-08 CN disclosed
CN-1371603-A Cyclopropene supply system ROHM & HAAS (US) 2002-10-02 CN disclosed
CN-1055089-C Intermediates of protein kinase C inhibitors and preparation process thereof LILLY CO ELI (US) 2000-08-02 CN disclosed
CN-1050844-C Protein kinase C inhibitors LILLY CO ELI (US) 2000-03-29 CN disclosed
CN-1220266-A Intermediates of protein kinase C inhibitors and preparation process thereof LILLY CO ELI (US) 1999-06-23 CN disclosed
CN-1111247-A Protein kinase C inhibitors LILLY CO ELI (US) 1995-11-08 CN disclosed