SCHEMBL9655848

SCHEMBL9655848

O=C(Cc1cccc(C(=O)OCc2ccccc2)c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
KMT2A Q03164 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
ALDH1A1 P00352 7/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 4/20 0.48
FOLH1 Q04609 5/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.46
KLK3 P07288 1/20 0.44
HPGD P15428 1/20 0.43
JMJD6 Q6NYC1 1/20 0.42

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
SCHEMBL6311723 0.83 KMT2A (0.59) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL31455827 0.81 RAB9A (0.61) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9655872 0.81 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL11686013 0.80 ALDH1A1 (0.61) TDP1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL318600 0.79 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL312910 0.79 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL31310151 0.78 ALDH1A1 (0.69) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL29094173 0.77 TDP1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL13469247 0.76 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL15012759 0.76 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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
EP-0268343-B1 ENZYMATIC PROCESS FOR 3-SUBSTITUTED CEPHALOSPORINS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1992-05-27 EP disclosed
EP-0268343-A2 Enzymatic process for 3-substituted cephalosporins THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1988-05-25 EP disclosed
EP-0260778-A1 Enzymatic process for B-Lactams THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1988-03-23 EP disclosed