SCHEMBL29249591

SCHEMBL29249591

O=CCc1cc(CC=O)c(O)c(CC=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPV4 Q9HBA0 1/20 0.33
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AKR1B10 O60218 1/20 0.30
MMP2 P08253 1/20 0.30
AKR1B1 P15121 1/20 0.30
AKR1C3 P42330 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL11116300 0.86 MEN1 (0.40) MEN1KMT2ATRPV4CYP1A2MAPT
SCHEMBL5165075 0.82 MEN1 (0.66) MEN1KMT2ATRPV4CYP1A2AKR1B10
SCHEMBL28318019 0.79 MAOB (0.39)
SCHEMBL28409933 0.78 KDM4E (0.35) MEN1KMT2ACYP1A2MAPTTSHR
SCHEMBL28418499 0.74 ERN1 (0.46) MEN1KMT2ACYP1A2MAPTHSD17B10
SCHEMBL5200570 0.71 MEN1 (0.40) MEN1KMT2ACYP1A2MAPTTSHR
SCHEMBL3658549 0.70 ERN1 (0.52) MEN1KMT2ACYP1A2MAPTTSHR
SCHEMBL4619587 0.70 HSD17B10 (0.39) MEN1KMT2ACYP1A2MAPTTSHR
SCHEMBL2319156 0.70 ERN1 (0.52)
SCHEMBL669447 0.70 ERN1 (0.52) MEN1KMT2ACYP1A2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271552-A Cationic covalent organic framework material, preparation thereof and application thereof in chromium adsorption 上海工程技术大学 2024-07-02 CN disclosed