SCHEMBL7248963

SCHEMBL7248963

CC1(C)C2CCCCC2C2(O)CCCCC12CO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
AKR1B10 O60218 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
SCHEMBL31529974 0.70 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL7252440 0.68 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTAKR1B10
SCHEMBL7244453 0.62 AKR1B10 (0.36) ALDH1A1L3MBTL1AKR1B10
SCHEMBL17511761 0.60 ESR2 (0.32) ALDH1A1L3MBTL1
SCHEMBL7254421 0.59 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL7251446 0.58 ALDH1A1 (0.30) ALDH1A1L3MBTL1
SCHEMBL10896596 0.57
SCHEMBL7270945 0.57 TSHR (0.37) ALDH1A1MAPT
SCHEMBL12918661 0.57 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPT
SCHEMBL3687007 0.57 MAPT (0.38) MAPT

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