SCHEMBL6037834

SCHEMBL6037834

O=C(O)CCC(CCCCP(=O)(O)Cc1cc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.40
FOLH1 Q04609 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CCKBR P32239 2/20 0.38

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
SCHEMBL5053089 0.87 GRM3 (0.50) FOLH1
SCHEMBL7607893 0.81 GRM3 (0.48) FOLH1
SCHEMBL8427851 0.77 FOLH1 (0.47) CPA3FOLH1CCKBR
SCHEMBL7605215 0.75 FOLH1 (0.48) CPA3FOLH1
SCHEMBL7605358 0.75 GGH (0.52) CCKBR
SCHEMBL5057964 0.75 CCKBR (0.39) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6037845 0.74 NPSR1 (0.49) CPA3FOLH1
SCHEMBL6037833 0.74 NPSR1 (0.49) CPA3FOLH1
SCHEMBL6037791 0.73 FOLH1 (0.46) CPA3FOLH1
SCHEMBL5057813 0.73 FOLH1 (0.48) CPA3FOLH1CCKBR

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