SCHEMBL9846772

SCHEMBL9846772

CCCOP(=O)(CC1CO1)OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP2 Q13822 7/20 0.38
LPAR2 Q9HBW0 3/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.32

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
SCHEMBL27572151 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL27496366 0.85 TSHR (0.41) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL4432272 0.79 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL30301191 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL1980955 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL4990894 0.79 TSHR (0.46) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL1977826 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL1980412 0.77 TSHR (0.48) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL28006286 0.76 ENPP2 (0.44) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2
SCHEMBL1980600 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1ENPP2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408990-A2 Thermosetting reaction resin mixture SIEMENS AKTIENGESELLSCHAFT (DE) 1991-01-23 EP disclosed