SCHEMBL27313148

SCHEMBL27313148

O=C(O)c1ccc(CCO)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.70
POLB P06746 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 1/20 0.46
NR4A1 P22736 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
ESR2 Q92731 1/20 0.46

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
Sumiki'S Acid SCHEMBL29706392 0.83 TDP1 (1.00) TDP1POLBSMN1; SMN2NPC1RAB9A
Sumiki'S Acid SCHEMBL50822 0.83 TDP1 (1.00) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL27381621 0.82 TDP1 (0.62) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL13841169 0.82 TDP1 (0.62) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL17016712 0.82 TDP1 (0.47) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL27484038 0.82 TDP1 (0.62) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL17537931 0.82 TDP1 (0.62) TDP1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL901472 0.80 TDP1 (0.72) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL24401235 0.80 TDP1 (0.60) TDP1POLBNPC1RAB9AL3MBTL1
Ethylene Glycol SCHEMBL20377334 0.80 TDP1 (0.64) TDP1POLBL3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN disclosed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN disclosed