SCHEMBL31397656

SCHEMBL31397656

CCOC(=O)C(C)(COCc1ccccc1)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.58
ALDH1A1 P00352 5/20 0.48
RECQL P46063 1/20 0.48
PIN1 Q13526 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
PPID Q08752 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTPRB P23467 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL15109852 0.90 MMP8 (0.52) MMP8ALDH1A1RECQLPIN1POLB
SCHEMBL9116769 0.86 MMP8 (0.57) MMP8ALDH1A1RECQLPIN1L3MBTL1
SCHEMBL26923170 0.83 TSHR (0.49) MMP8ALDH1A1POLBKDM4EL3MBTL1
SCHEMBL28943134 0.83 LMNA (0.48) MMP8ALDH1A1RECQLPIN1POLB
SCHEMBL8743568 0.83 ALDH1A1 (0.47) MMP8ALDH1A1RECQLPIN1POLB
SCHEMBL22087971 0.82 MMP8 (0.53) MMP8ALDH1A1RECQLPIN1L3MBTL1
SCHEMBL9214416 0.82 MMP8 (0.47) MMP8ALDH1A1RECQLPIN1POLB
SCHEMBL9213213 0.82 ALDH1A1 (0.46) MMP8ALDH1A1RECQLPIN1POLB
SCHEMBL31397663 0.82 KDM4E (0.51) ALDH1A1POLBKDM4EL3MBTL1TSHR
SCHEMBL2734999 0.81 MMP8 (0.42) MMP8ALDH1A1RECQLTSHRKMT2A

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