SCHEMBL6037784

SCHEMBL6037784

O=C(O)CCC(CCCP(=O)(O)CCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CPA3 P15088 1/20 0.54
POLB P06746 1/20 0.54
CETP P11597 1/20 0.52
FOLH1 Q04609 2/20 0.52
MAPK1 P28482 1/20 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
SCHEMBL6037797 0.92 CPA3 (0.56) TSHRCPA3POLBFOLH1
SCHEMBL5053123 0.86 FOLH1 (0.61) CPA3FOLH1
SCHEMBL1374848 0.84 FOLH1 (0.59) CPA3FOLH1
SCHEMBL1374317 0.83 FOLH1 (0.57) TSHRCPA3FOLH1
SCHEMBL6037839 0.82 CPA3 (0.58) CPA3FOLH1
SCHEMBL2172375 0.79 TSHR (0.70) TSHRPOLBCETPMAPK1
SCHEMBL7350860 0.79 CPA3 (0.71) CPA3FOLH1MAPK1
SCHEMBL12145183 0.79 GRM3 (0.68) CPA3FOLH1
SCHEMBL8060046 0.79 TBXAS1 (0.51) CPA3FOLH1
SCHEMBL6037845 0.78 NPSR1 (0.49) TSHRCPA3FOLH1

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
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed