SCHEMBL7622966

SCHEMBL7622966

O=C(O)CCC(C[PH](=O)OC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.52
▸ KEAP1 Q14145 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ FOLH1 Q04609 1/20 0.45
▸ FFAR1 O14842 4/20 0.44
▸ HDAC3 O15379 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL7625201 0.83 CPA3 (0.54) CPA3KEAP1FOLH1FFAR1HDAC3
SCHEMBL7617124 0.81 CPA3 (0.51) CPA3KEAP1FOLH1FFAR1HDAC3
SCHEMBL23705412 0.80 CPA3 (0.56) CPA3FOLH1
SCHEMBL7624082 0.80 CPA3 (0.50) CPA3KEAP1FOLH1FFAR1HDAC3
SCHEMBL7617132 0.79 CPA3 (0.60) CPA3KEAP1FOLH1FFAR1
SCHEMBL7619759 0.77 CPA3 (0.57) CPA3KEAP1FOLH1
SCHEMBL7624084 0.76 CPA3 (0.56) CPA3KEAP1FOLH1
SCHEMBL7622788 0.76 CPA3 (0.52) CPA3KEAP1FOLH1
SCHEMBL7350860 0.75 CPA3 (0.71) CPA3KEAP1FOLH1FFAR1HDAC3
SCHEMBL7827889 0.73 TDP1 (0.63) KEAP1TDP1FFAR1HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384022-B1 ENZYME INHIBITORS GUILFORD PHARMACEUTICALS INC. 2002-05-07 — — US claimed
JP-2001527084-A — — 2001-12-25 — — JP claimed
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 — — EP claimed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 — — WO claimed
US-6384022-B1 ENZYME INHIBITORS GUILFORD PHARMACEUTICALS INC. 2002-05-07 — — US disclosed
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 — — EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 — — WO disclosed
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