SCHEMBL8024353

SCHEMBL8024353

CCC(CO)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.48
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1643439 0.98 SHBG (0.52) SHBGTP53KDM4EGMNNLMNA
SCHEMBL12803384 0.98 SHBG (0.52) SHBGTP53KDM4EGMNNLMNA
SCHEMBL8009866 0.95
SCHEMBL8020368 0.90
SCHEMBL2342491 0.84 SHBG (0.57) SHBGTP53KDM4EGMNNLMNA
SCHEMBL1849074 0.84 ALDH1A1 (0.41) SHBGTP53KDM4EGMNNLMNA
SCHEMBL5400953 0.81 SHBG (0.62) SHBGTP53KDM4EGMNNLMNA
SCHEMBL5313949 0.81 ALDH1A1 (0.45) SHBGTP53KDM4EGMNNLMNA
SCHEMBL1129491 0.81 ALDH1A1 (0.45) SHBGTP53KDM4EGMNNLMNA
SCHEMBL14402663 0.79 SHBG (0.43) SHBGTP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761525-B Perfume composition 花王株式会社 2024-08-30 CN disclosed
CN-114761525-A Fragrance composition 花王株式会社 2022-07-15 CN disclosed
WO-2021111935-A1 FRAGRANCE COMPOSITION 花王株式会社 2021-06-10 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed