SCHEMBL28599082

SCHEMBL28599082

Cc1cc(C)c(C(C)OC(C)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL27927634 0.75 RAPGEF4 (0.41) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5163137 0.75 RAPGEF4 (0.41) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL1962586 0.73 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL28758397 0.73 TSHR (0.39) SLC6A2SLC6A4SLC6A3LMNAKDM4E
SCHEMBL2848311 0.71 RAPGEF4 (0.43) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL23122285 0.70 RAPGEF4 (0.38) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL12575348 0.70 RAPGEF4 (0.38) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8053821 0.70 RAPGEF4 (0.38) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL6442607 0.70 RAPGEF4 (0.38) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA
Hydrogen Peroxide SCHEMBL10882706 0.70 LDHA (0.39) RAPGEF4SLC6A2SLC6A4SLC6A3LMNA

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-113173836-B Method for synthesizing borane-catalyzed symmetrical ether 南京晓庄学院 2023-04-14 CN disclosed
CN-113173836-A Method for synthesizing symmetric ether catalyzed by borane 南京晓庄学院 2021-07-27 CN disclosed