SCHEMBL28928014

SCHEMBL28928014

C=CC(=O)OC(C)Cc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.40
MYC P01106 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN11 Q06124 1/20 0.34
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
TPMT P51580 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB3 P13945 2/20 0.33
ADRB1 P08588 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33

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
SCHEMBL4579754 0.88 CA12 (0.38) ALDH1A1KDM4ETSHRCA12CA1
SCHEMBL8649783 0.85 ALDH1A1 (0.34) ALDH1A1TSHRGAA
SCHEMBL28928065 0.82 TSHR (0.43) ACE2MYCALDH1A1KDM4EPTPN11
SCHEMBL16243722 0.81 POLB (0.42) ACE2MYCALDH1A1KDM4ETSHR
SCHEMBL8155476 0.81 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AGAA
SCHEMBL1356439 0.79 ACE2 (0.50) ACE2MYCALDH1A1KDM4ETSHR
SCHEMBL690261 0.77 PRKCG (0.36) ALDH1A1KMT2A
SCHEMBL9192807 0.75 ACE2 (0.49) ACE2MYCALDH1A1KDM4ETSHR
SCHEMBL11144692 0.74 CA12 (0.41) ACE2MYCALDH1A1KDM4ETSHR
SCHEMBL4577992 0.74 TSHR (0.34) ALDH1A1TSHRCA1CA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803361-A Compound, polymer, and curable composition AGC株式会社 2023-03-14 CN disclosed
CN-115427525-A Active energy ray-curable adhesive sheet, laminate for image display device, and method for producing laminate for image display device 三菱化学株式会社 2022-12-02 CN disclosed