SCHEMBL8733601

SCHEMBL8733601

CCC(CC(C)O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
EPHX1 P07099 3/20 0.41
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 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
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL2996333 0.84 SHBG (0.56) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL28691861 0.83 SHBG (0.50) SHBGEPHX1TP53ALDH1A1
SCHEMBL12197647 0.82 TP53 (0.38) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL14541760 0.82 SHBG (0.45) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL2999486 0.81 SHBG (0.48) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL28102516 0.81 SHBG (0.54) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL28084542 0.80 SHBG (0.43) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL5400953 0.79 SHBG (0.62) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL27366437 0.77 SHBG (0.43) SHBGEPHX1
SCHEMBL2342491 0.77 SHBG (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833883-A1 CYCLOHEXYL-SUBSTITUTED ALKANOLS Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-08 EP disclosed
WO-1996041853-A1 CYCLOHEXYL-SUBSTITUTED ALKANOLS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-12-27 WO disclosed