SCHEMBL31437079

SCHEMBL31437079

COC(=O)c1cccc(OCCO)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HSP90AA1 P07900 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL24571900 1.00 MAPT (0.49) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL6280141 0.85 HSP90AA1 (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL31051133 0.85 CNR2 (0.44) HTTKDM4EALDH1A1LMNAMEN1
SCHEMBL11418287 0.84 ALDH1A1 (0.51) HTTKDM4EALDH1A1LMNAKMT2A
SCHEMBL7977563 0.84 KDM4E (0.56) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL23748685 0.84 KDM4E (0.53) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL31033384 0.83 CHEK1 (0.51) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL5838452 0.83 CHEK1 (0.51) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL25244052 0.82 MAPT (0.48) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL19709550 0.81 MAPT (0.47) MAPTHSP90AA1HTTNPSR1KDM4E

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-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed