SCHEMBL28546016

SCHEMBL28546016

CCC(c1cccc(O)c1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM1 Q13255 1/20 0.49
CYP17A1 P05093 1/20 0.45
CSNK2A1 P68400 1/20 0.44

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
Methane SCHEMBL9652566 0.88 KDM4E (0.51) CA12CA1CA2ALOX5PTGS2
SCHEMBL11755689 0.85 CA1 (0.53) CA12CA1CA2ALOX5PTGS2
SCHEMBL14124058 0.84 CA1 (0.56) CA12CA1CA2ALOX5PTGS2
SCHEMBL27514771 0.82 SLC22A1 (0.57) CA12CA2CA9CA14KDM4E
SCHEMBL9397950 0.82 CYP17A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28720485 0.80 HSD17B10 (0.50) PTGS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10822194 0.79 HSD17B10 (0.50) CA12CA1CA2ALOX5PTGS2
SCHEMBL25210900 0.79 CYP17A1 (0.55) CA12CA2CA9CA14KDM4E
SCHEMBL28537391 0.77 HIF1A (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL31545674 0.77 TRPA1 (0.49) KDM4ECYP2C9MEN1CYP2C19KMT2A

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-112546883-B Polyelectrolyte, preparation and application thereof, polyelectrolyte ultrafiltration membrane, preparation and application thereof 吉林大学 2022-02-15 CN claimed
CN-112546883-A Polyelectrolyte, preparation and application thereof, polyelectrolyte ultrafiltration membrane, preparation and application thereof 吉林大学 2021-03-26 CN claimed
CN-112546883-B Polyelectrolyte, preparation and application thereof, polyelectrolyte ultrafiltration membrane, preparation and application thereof 吉林大学 2022-02-15 CN disclosed
CN-112546883-A Polyelectrolyte, preparation and application thereof, polyelectrolyte ultrafiltration membrane, preparation and application thereof 吉林大学 2021-03-26 CN disclosed