SCHEMBL28889795

SCHEMBL28889795

CCCc1nc2c(C)cc(CC(=O)O)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.41
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PPARG P37231 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.34
APEX1 P27695 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL3640946 0.83 ACACB (0.36) PRKCZACACBACACAKDM4EKMT2A
SCHEMBL4553606 0.82 ACACB (0.36) PRKCZACACBACACAKDM4EKMT2A
SCHEMBL158112 0.81 ACACB (0.45) PRKCZACACBACACAPPARGPARP1
Hydrochloric Acid SCHEMBL4437775 0.78 ACACB (0.44) PRKCZACACBACACAPARP1PARP2
SCHEMBL14855819 0.78 KMT2A (0.35) PRKCZACACBACACAPARP1KDM4E
SCHEMBL1118704 0.77 ACACB (0.39) PRKCZACACBACACAPARP1PARP2
SCHEMBL28048356 0.77 ACACB (0.44) PRKCZACACBACACAPARP1PARP2
SCHEMBL8848140 0.77 ACACB (0.44) PRKCZACACBACACAKDM4EKMT2A
SCHEMBL19342748 0.76 KDM4E (0.44) PRKCZACACBACACAPARP1KDM4E
SCHEMBL3707018 0.75 ACACB (0.43) ACACBACACAPPARGKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112251770-B Novel electrochemical preparation method of antihypertensive drug telmisartan intermediate 湖南大学 2021-07-27 CN disclosed
CN-111041516-B New preparation method of telmisartan intermediate of antihypertensive drug 湖南大学 2021-06-25 CN disclosed
CN-112251770-A Novel electrochemical preparation method of antihypertensive drug telmisartan intermediate 湖南大学 2021-01-22 CN disclosed
CN-111041516-A New preparation method of telmisartan intermediate of antihypertensive drug 湖南大学 2020-04-21 CN disclosed