SCHEMBL9872397

SCHEMBL9872397

CCCCCCCCCCCCCCCCC[C@@H]1OC[C@@H](COCCCCCCOCc2ccccc2)O1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ENPP2 Q13822 2/20 0.47

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
SCHEMBL9872377 1.00 ALDH1A1 (0.52) ALDH1A1TDP1ENPP2
SCHEMBL9872386 1.00 ALDH1A1 (0.52) ALDH1A1TDP1ENPP2
SCHEMBL10365234 0.93 ENPP2 (0.51) ENPP2
SCHEMBL10365254 0.92 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL10441640 0.92 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL10441639 0.92 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL10365070 0.92 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL9870887 0.87 PTPN1 (0.51)
SCHEMBL9870892 0.87 PTPN1 (0.51)
SCHEMBL9870901 0.87 PTPN1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070139-A PLATELET ACTIVATING FACTOR ANTAGONISTS, HYPOTENSIVES J. URIACH & CIA. S.A. (ES) 1991-12-03 US disclosed
US-4940706-A 2,4-disubstituted 1,3-dioxolanes and pharmaceutical use J. URIACH & CIA, S.A. (ES) 1990-07-10 US disclosed
EP-0312041-A2 2,4-Disubstituted 1,3-dioxolanes J. URIACH & CIA. S.A. (ES) 1989-04-19 EP disclosed