SCHEMBL31397663

SCHEMBL31397663

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.50
ALDH1A1 P00352 5/20 0.48
PPARA Q07869 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.42
PTPRB P23467 1/20 0.42
CTSS P25774 1/20 0.42
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.41
SLC1A1 P43005 1/20 0.41
HIF1A Q16665 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
SCHEMBL31397647 0.88 KDM4E (0.47) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL1691754 0.87 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL3545416 0.85 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL15012155 0.84 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL15012407 0.84 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL17667387 0.82 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL12266017 0.82 KDM4E (0.49) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL7936507 0.82 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL17667388 0.82 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1PPARA
SCHEMBL31397656 0.82 MMP8 (0.58) KDM4EPOLBTSHRALDH1A1L3MBTL1

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-119431243-B Deuterated huperzine A compound or pharmaceutically acceptable salt thereof as well as preparation method and application thereof 万邦德制药集团有限公司 2025-06-10 CN disclosed
CN-119431243-A Deuterated huperzine A compound or pharmaceutically acceptable salt thereof as well as preparation method and application thereof 万邦德制药集团有限公司 2025-02-14 CN disclosed