SCHEMBL28890376

SCHEMBL28890376

CC(=O)OCCc1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.41
CA1 P00915 12/20 0.41
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD52 P43351 1/20 0.37
CA4 P22748 3/20 0.36
TYR P14679 1/20 0.36
CA12 O43570 1/20 0.36
MET P08581 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL3258334 0.85 CA2 (0.50) CA2CA1CA9ALDH1A1SMN1; SMN2
SCHEMBL8000907 0.83 MAPT (0.50) CA2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27647793 0.83 CA1 (0.48) CA2CA1CA4
SCHEMBL11039771 0.83 KMT2A (0.50) CA2CA1CA9ALDH1A1MAPT
SCHEMBL2169178 0.81 ALDH1A1 (0.50) CA2ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL1246773 0.80 CA2 (0.48) CA2CA1CA9ALDH1A1TSHR
SCHEMBL1244831 0.79 CA2 (0.35) CA2ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3142520 0.79 KMT2A (0.51) CA2CA1CA9ALDH1A1NPC1
Alcohol SCHEMBL11039769 0.79 KMT2A (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27851342 0.79 HPGD (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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-115380026-B Protein degradation modulators and methods of use thereof 南京明德新药研发有限公司 2023-11-07 CN disclosed
CN-115380026-A Protein degradation modulators and methods of use thereof 南京明德新药研发有限公司 2022-11-22 CN disclosed