SCHEMBL19944360

SCHEMBL19944360

C=CC(=O)OC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TSHR P16473 1/20 0.42
TEAD3 Q99594 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
FOLH1 Q04609 1/20 0.41
TACR1 P25103 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL30640944 0.88 THRB (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL30640943 0.88 THRB (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL6337069 0.85 CA1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL6337071 0.85 CA1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL28625545 0.83 MAOB (0.42)
SCHEMBL16486014 0.80 CYP1A2 (0.46) HCAR2FOLH1
SCHEMBL8191319 0.79 CA1 (0.54) SLC1A1CA1CA2CA7CA9
SCHEMBL3736045 0.79 APOBEC3A (0.50) SLC1A1CA1CA2CA7CA9
SCHEMBL7789021 0.79 ALDH1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL14673835 0.78 MMP12 (0.47) TSHRHCAR2HTT

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
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed