SCHEMBL9720249

SCHEMBL9720249

CCCCCCCCCCCCCCCCCCOCC(O)COCCCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
USP2 O75604 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
HRH1 P35367 2/20 0.44
TBXAS1 P24557 5/20 0.44
LPAR5 Q9H1C0 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP2A6 P11509 1/20 0.43
CHRNA7 P36544 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL11441375 0.84 USP2 (0.54) TDP1L3MBTL1USP2HTTLPAR5
SCHEMBL9720258 0.83 TDP1 (0.55) TDP1L3MBTL1LMNAHRH1TBXAS1
SCHEMBL23015074 0.82 TDP1 (0.68) TDP1L3MBTL1HRH1TBXAS1TRPV1
SCHEMBL10061567 0.81 L3MBTL1 (0.75) TDP1L3MBTL1HRH1TBXAS1TRPV1
SCHEMBL2098501 0.80 TDP1 (0.55) TDP1L3MBTL1HRH1TBXAS1CYP2A6
SCHEMBL2608878 0.79 TDP1 (0.54) TDP1L3MBTL1HRH1TBXAS1CYP2A6
SCHEMBL25382598 0.79 TDP1 (0.96) TDP1L3MBTL1HRH1TBXAS1TRPV1
SCHEMBL6114977 0.79 TDP1 (0.96) TDP1L3MBTL1HRH1TBXAS1TRPV1
SCHEMBL25380936 0.79 TDP1 (0.96) TDP1L3MBTL1HRH1TBXAS1TRPV1
SCHEMBL6114843 0.79 TDP1 (0.96) TDP1L3MBTL1HRH1TBXAS1TRPV1

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
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed