SCHEMBL7244453

SCHEMBL7244453

CC1(C)C2CCCCC2C2CCCCC21CO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.36
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7252440 0.73 ALDH1A1 (0.36) AKR1B10ALDH1A1L3MBTL1
SCHEMBL9820548 0.63
SCHEMBL2953894 0.63 MAPT (0.33)
SCHEMBL7248963 0.62 ALDH1A1 (0.33) AKR1B10ALDH1A1L3MBTL1
SCHEMBL5245937 0.61 CDC25A (0.35) CYP19A1
SCHEMBL11506383 0.60
SCHEMBL1101050 0.60 TSHR (0.39)
SCHEMBL15535823 0.60 SCN9A (0.32)
SCHEMBL7251446 0.59 ALDH1A1 (0.30) ALDH1A1L3MBTL1
SCHEMBL17445863 0.59 ALDH1A1 (0.39) ALDH1A1L3MBTL1

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-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 US disclosed
EP-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed