SCHEMBL10441900

SCHEMBL10441900

CCCCCCCCCCCCCCCCCC1COC(COCc2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
CDC25B P30305 1/20 0.46
ENPP2 Q13822 3/20 0.45
ALDH1A1 P00352 1/20 0.44
LPAR2 Q9HBW0 1/20 0.42

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
SCHEMBL10365234 0.91 ENPP2 (0.51) PTPN1CDC25BENPP2LPAR2
SCHEMBL10365070 0.88 ALDH1A1 (0.54) ALDH1A1
SCHEMBL10365254 0.88 ALDH1A1 (0.54) ALDH1A1
SCHEMBL10441640 0.88 ALDH1A1 (0.54) ALDH1A1
SCHEMBL10441639 0.88 ALDH1A1 (0.54) ALDH1A1
SCHEMBL9872397 0.84 ALDH1A1 (0.52) ENPP2ALDH1A1
SCHEMBL9872377 0.84 ALDH1A1 (0.52) ENPP2ALDH1A1
SCHEMBL9872386 0.84 ALDH1A1 (0.52) ENPP2ALDH1A1
SCHEMBL10441694 0.80 PTPN1 (0.43) PTPN1CDC25B
SCHEMBL9870887 0.77 PTPN1 (0.51) PTPN1

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-0393512-A1 New 1,3-dioxolane-2-yl derivatives of 2-picolylamine J. URIACH & CIA. S.A. (ES) 1990-10-24 EP disclosed