SCHEMBL6037797

SCHEMBL6037797

O=C(O)CCC(CCP(=O)(O)CCc1ccccc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.56
FOLH1 Q04609 3/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.49
GRM3 Q14832 2/20 0.49

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
SCHEMBL6037784 0.92 TSHR (0.60) CPA3FOLH1TSHRPOLB
SCHEMBL5053123 0.89 FOLH1 (0.61) CPA3FOLH1GRM3
SCHEMBL6037839 0.87 CPA3 (0.58) CPA3FOLH1GRM3
SCHEMBL8060046 0.86 TBXAS1 (0.51) CPA3FOLH1
SCHEMBL7613981 0.83 FOLH1 (0.49) CPA3FOLH1GRM3
SCHEMBL2172375 0.81 TSHR (0.70) TSHRPOLB
SCHEMBL7350860 0.81 CPA3 (0.71) CPA3FOLH1
SCHEMBL12145183 0.81 GRM3 (0.68) CPA3FOLH1GRM3
SCHEMBL1374848 0.81 FOLH1 (0.59) CPA3FOLH1GRM3
SCHEMBL7608702 0.80 FOLH1 (0.72) FOLH1GRM3

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
WO-1999033848-B1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARM INC (US) 1999-08-12 WO claimed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed