SCHEMBL8658283

SCHEMBL8658283

COC(=O)c1c(C)oc2ccc(O)c(C(=O)OCc3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8657083 0.80 L3MBTL1 (0.42) L3MBTL1TSHRNPC1ATMCASP3
SCHEMBL27554752 0.78 RAB9A (0.51) TSHRNPC1ATMTDP1MAPT
SCHEMBL20711151 0.74 RAB9A (0.53) L3MBTL1TSHRNPC1ATMTDP1
SCHEMBL3919215 0.73 TDP1 (0.71) L3MBTL1TSHRNPC1TDP1MAPT
SCHEMBL24470976 0.71 L3MBTL1 (0.51) L3MBTL1TSHRNPC1CASP3SENP8
SCHEMBL30569373 0.71 L3MBTL1 (0.51) L3MBTL1TSHRNPC1CASP3SENP8
SCHEMBL6622502 0.70 L3MBTL1 (0.59) L3MBTL1TSHRNPC1ATMTDP1
SCHEMBL9741945 0.70 TDP1 (0.62) L3MBTL1TSHRNPC1TDP1MAPT
SCHEMBL10760609 0.70 TDP1 (0.54) L3MBTL1TSHRNPC1ATMTDP1
SCHEMBL9396501 0.70 CA12 (0.51) L3MBTL1ATMSMN1; SMN2ALDH1A1

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-5770544-A TRIAZINES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-23 US disclosed
US-5616537-A Condensed heterocyclic derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-01 US disclosed
EP-0606489-A1 CONDENSED HETEROCYCLIC DERIVATIVE AND WEEDKILLER KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-07-20 EP disclosed