SCHEMBL9870892

SCHEMBL9870892

CCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCCOCc2ccccc2)O1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
MGLL Q99685 1/20 0.48

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
SCHEMBL9870901 1.00 PTPN1 (0.51) PTPN1MGLL
SCHEMBL9870887 1.00 PTPN1 (0.51) PTPN1MGLL
SCHEMBL9872397 0.87 ALDH1A1 (0.52)
SCHEMBL9872386 0.87 ALDH1A1 (0.52)
SCHEMBL9872377 0.87 ALDH1A1 (0.52)
SCHEMBL10365234 0.82 ENPP2 (0.51) PTPN1
SCHEMBL10441639 0.79 ALDH1A1 (0.54)
SCHEMBL10441640 0.79 ALDH1A1 (0.54)
SCHEMBL10365070 0.79 ALDH1A1 (0.54)
SCHEMBL10365254 0.79 ALDH1A1 (0.54)

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-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