SCHEMBL28295595

SCHEMBL28295595

COC(=O)c1c(C(=O)O)cccc1-c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
AKR1B10 O60218 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
DHFR P00374 1/20 0.46
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM1 P11229 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGS1 P23219 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
SCHEMBL28138154 0.90 TSHR (0.50) MYCPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10425360 0.90 CA12 (0.55) MYCHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4830387 0.86 ALDH1A1 (0.53) MYCPOLBHPGDKDM4EALDH1A1
SCHEMBL1697842 0.85 HNF4A (0.54) POLBHPGDKDM4EALDH1A1KMT2A
SCHEMBL607159 0.84 MYC (0.65) MYCPOLBHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28266194 0.83 MYC (0.62) MYCPOLBHPGDKDM4EALDH1A1
SCHEMBL12724852 0.83 CA12 (0.50) HPGDALDH1A1KMT2ACYP3A4MEN1
Formaldehyde SCHEMBL28464663 0.83 HNF4A (0.51) POLBHPGDKDM4EALDH1A1KMT2A
SCHEMBL31514070 0.82 CA12 (0.59) POLBHPGDKDM4EALDH1A1HSD17B10
Bicarbonate SCHEMBL27492792 0.81 SLC6A3 (0.54) MYCPOLBKDM4EALDH1A1HSD17B10

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
CN-109678809-A The synthetic method and its application of the UIO-67 of tetrazole functionalization 山西大学 2019-04-26 CN claimed
CN-109678809-B Synthesis method and application of tetrazole functionalized UIO-67 山西大学 2020-09-29 CN disclosed
CN-109678809-A The synthetic method and its application of the UIO-67 of tetrazole functionalization 山西大学 2019-04-26 CN disclosed