SCHEMBL28932014

SCHEMBL28932014

CC=CC(=O)Nc1cc(C(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.55
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LTB4R Q15722 4/20 0.44
▸ PELI1 Q96FA3 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL14354684 0.81 GAA (0.74) MAPTGAASMN1; SMN2CA12CA1
SCHEMBL31236129 0.78 KDM4E (0.60) KDM5AMAPTGAASMN1; SMN2KDM4E
SCHEMBL81134 0.78 KDM4E (0.60) KDM5AMAPTGAASMN1; SMN2KDM4E
SCHEMBL5175949 0.75 MMP1 (0.65) MAPTGAAKDM4EPELI1NPC1
SCHEMBL28477473 0.75 MEN1 (0.60) KDM5AMAPTGAAKDM4ECA12
SCHEMBL12189827 0.75 MMP1 (0.65) MAPTGAAKDM4EPELI1NPC1
SCHEMBL5175939 0.75 MMP1 (0.65) MAPTGAAKDM4EPELI1NPC1
SCHEMBL8495044 0.75 KDM5A (0.59) KDM5AMAPTGAAKDM4ECA12
SCHEMBL2213755 0.74 KDM5A (0.62) KDM5AMAPTGAAKDM4ECA12
SCHEMBL21766269 0.74 DDAH1 (0.41) KDM5AMAPTGAAKDM4ELTB4R

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-110050004-B Copolymers suitable for plasticizing inorganic binder systems 建筑研究和技术有限公司 2022-01-25 — — CN disclosed
Send feedback