SCHEMBL9319353

SCHEMBL9319353

O=C(O)c1cc2cc(O)c(O)cc2c(=O)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.46
AKR1B1 P15121 3/20 0.40
CSNK2A1 P68400 5/20 0.40
PIM1 P11309 5/20 0.40
CSNK2A2 P19784 4/20 0.40
CSNK2B P67870 4/20 0.40
CSNK2A3 Q8NEV1 3/20 0.40
KDM4E B2RXH2 4/20 0.39
PKLR P30613 3/20 0.39
GPR35 Q9HC97 3/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 2/20 0.39
GALNT2 Q10471 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
PLK4 O00444 1/20 0.39

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
Phelligridin J SCHEMBL31399403 0.76 PKLR (0.45) AKR1B1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL7382104 0.76 PIM1 (0.50) PIM1KDM4EKMT2AMAPTHPGD
SCHEMBL9424948 0.75 PIM1 (0.55) AKR1B1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL175987 0.74 ALDH1A1 (0.59) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5563883 0.70 AKR1B1 (0.65) AKR1B1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL14402284 0.70 ALDH1A1 (0.46) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5554955 0.69 PIM1 (0.43) AKR1B1CSNK2A1PIM1CSNK2A2CSNK2B
Formic Acid SCHEMBL11853384 0.69 ALDH1A1 (0.55) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6945650 0.66 MEN1 (0.48) PIM1KDM4EKMT2AMAPTHPGD
SCHEMBL2707336 0.66 TDP1 (0.47) AKR1B1KDM4EKMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 US disclosed
US-5232918-A Bactericides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US disclosed
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed