SCHEMBL9655872

SCHEMBL9655872

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
KMT2A Q03164 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 1/20 0.57
FOLH1 Q04609 2/20 0.55
MAPT P10636 3/20 0.55
ENPP2 Q13822 1/20 0.53
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
KLK3 P07288 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
Benzyl Benzoate SCHEMBL10525448 0.88 KMT2A (0.82) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL312910 0.88 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL13469247 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL318600 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL15012759 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL9656735 0.85 HTT (0.63) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL31455827 0.85 RAB9A (0.61) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL23736438 0.85 KMT2A (0.76) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL20893057 0.84 TDP1 (0.65) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL16758178 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A

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