SCHEMBL29140266

SCHEMBL29140266

CCC(C)C(C)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.56
EPHX1 P07099 2/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4005305 0.95 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL28122488 0.82 SHBG (0.54) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL13909502 0.78 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL15133700 0.78 CPN1 (0.42) SHBGKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL15187940 0.77 SHBG (0.42) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL25644991 0.77 SHBG (0.42) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL11098099 0.77 SHBG (0.42) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL2995478 0.76 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL486924 0.76 SHBG (0.59) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL1192741 0.76 SHBG (0.59) SHBGEPHX1TP53KDM4EGMNN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143476-A Hydrocarbon solvent 日铁化学材料株式会社 2023-12-01 CN disclosed