SCHEMBL28369449

SCHEMBL28369449

CCC(c1ccccc1OCCCO)c1ccccc1OCCCO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL11341891 0.95 ALDH1A1 (0.51) ALDH1A1LMNAATMCYSLTR2CYSLTR1
SCHEMBL34022 0.91 ALDH1A1 (0.47) ALDH1A1LMNAATMCYSLTR2CYSLTR1
SCHEMBL13086414 0.82 LMNA (0.68) ALDH1A1LMNAATML3MBTL1KDM4E
SCHEMBL23188976 0.79 ALDH1A1 (0.52) ALDH1A1LMNAATMCYSLTR2CYSLTR1
SCHEMBL10343270 0.78 ALDH1A1 (0.42) ALDH1A1LMNACYSLTR2CYSLTR1L3MBTL1
SCHEMBL715500 0.77 LMNA (0.56) ALDH1A1LMNAL3MBTL1KDM4EMEN1
SCHEMBL30327643 0.77 LMNA (0.56) ALDH1A1LMNAL3MBTL1KDM4EMEN1
SCHEMBL15509366 0.76 PPARG (0.53) ALDH1A1LMNACYSLTR2CYSLTR1KDM4E
SCHEMBL29459382 0.76 PPARG (0.53) ALDH1A1LMNACYSLTR2CYSLTR1KDM4E
SCHEMBL10419263 0.76 KDM4E (0.57) ALDH1A1LMNAATML3MBTL1KDM4E

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-111989080-B Dental impression material 登特斯普伊德特雷有限公司 2023-03-14 CN disclosed
CN-110741041-A Polyvinyl chloride and copolyester compositions and articles made using these compositions 伊士曼化工公司 2020-01-31 CN disclosed