SCHEMBL28405151

SCHEMBL28405151

CC(=Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
FBP1 P09467 3/20 0.53
HDAC2 Q92769 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
MMP3 P08254 2/20 0.46
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
MMP2 P08253 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KIF11 P52732 1/20 0.42
CISD1 Q9NZ45 1/20 0.41
SLC16A3 O15427 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4579424 0.95 AKR1C3 (0.62) AKR1C3FBP1HDAC2ALDH1A1KDM4E
SCHEMBL3246531 0.95 AKR1C3 (0.62) AKR1C3FBP1HDAC2ALDH1A1KDM4E
SCHEMBL20764492 0.95 AKR1C3 (0.62) AKR1C3FBP1HDAC2ALDH1A1KDM4E
SCHEMBL3414243 0.87 AKR1C3 (0.72) AKR1C3ALDH1A1KDM4EKMT2ATP53
SCHEMBL2732933 0.87 AKR1C3 (0.72) AKR1C3ALDH1A1KDM4EKMT2ATP53
SCHEMBL2439472 0.84 FBP1 (0.57) AKR1C3FBP1HDAC2ALDH1A1KDM4E
SCHEMBL2439471 0.84 FBP1 (0.57) AKR1C3FBP1HDAC2ALDH1A1KDM4E
SCHEMBL532624 0.82 AKR1C3 (0.77) AKR1C3HDAC2ALDH1A1KMT2ATP53
SCHEMBL532625 0.82 AKR1C3 (0.77) AKR1C3HDAC2ALDH1A1KMT2ATP53
SCHEMBL2462983 0.81 AKR1C3 (0.82) AKR1C3ALDH1A1KDM4ETP53L3MBTL1

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-113299988-A In-situ polymerization electrolyte and use method and application thereof 广州天赐高新材料股份有限公司 2021-08-24 CN claimed
CN-113299982-A In-situ polymerization electrolyte, method for preparing in-situ all-solid-state battery by adopting same and in-situ all-solid-state battery 广州天赐高新材料股份有限公司 2021-08-24 CN disclosed
CN-113299988-A In-situ polymerization electrolyte and use method and application thereof 广州天赐高新材料股份有限公司 2021-08-24 CN disclosed
CN-108912842-B Liquid crystal printing ink for multiple anti-counterfeiting, preparation method and application 北京化工大学 2020-05-01 CN disclosed