SCHEMBL10416643

SCHEMBL10416643

CCOC(OCC)C(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
LMNA P02545 2/20 0.36
EPHX1 P07099 2/20 0.34
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10445720 0.83 SHBG (0.41) SHBGEPHX1TP53
SCHEMBL2701907 0.81 SHBG (0.48) SHBGLMNAEPHX1TP53THRB
SCHEMBL12124953 0.81 SHBG (0.48) SHBGLMNAEPHX1TP53THRB
SCHEMBL6367519 0.81 SHBG (0.48) SHBGLMNAEPHX1TP53THRB
SCHEMBL11051863 0.78 SHBG (0.41) SHBGLMNAEPHX1TP53KDM4E
SCHEMBL12972065 0.78 SHBG (0.44) SHBGLMNAEPHX1TP53THRB
SCHEMBL12124952 0.78 SHBG (0.44) SHBGLMNAEPHX1TP53THRB
SCHEMBL11842539 0.76 SHBG (0.48) SHBGLMNAEPHX1TP53THRB
SCHEMBL14743720 0.76 SHBG (0.48) SHBGLMNAEPHX1TP53THRB
SCHEMBL16287469 0.76 SHBG (0.48) SHBGLMNAEPHX1TP53THRB

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
US-4978653-A Derivative of 2-cyclohexylpropanal and perfumery composition comprising the same KAO CORPORATION (JP) 1990-12-18 US disclosed
EP-0358091-A2 Derivative of 2-cyclohexylpropanal and perfumery composition comprising the same KAO CORPORATION (JP) 1990-03-14 EP disclosed