SCHEMBL7866642

SCHEMBL7866642

NCCCC[C@H](N)C(=O)Nc1ccc(C(=O)O)c(-c2cccc(O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.50
▸ TERT O14746 5/20 0.47
▸ HPGDS O60760 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ GRIA2 P42262 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ GRIK1 P39086 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL5970252 0.89 LTA4H (0.48) LTA4HTERTHPGDSCHEK1MMP2
SCHEMBL5970300 0.86 SIRT5 (0.52) HPGDSSIRT5
SCHEMBL5970942 0.86 SIRT5 (0.52) HPGDSSIRT5
SCHEMBL5970333 0.84 HDAC4 (0.45) HPGDSMMP2SIRT5
SCHEMBL5970093 0.84 HPGDS (0.55) HPGDS
SCHEMBL5970269 0.84 HPGDS (0.43) HPGDSSIRT5
SCHEMBL5970396 0.82 HDAC4 (0.51) TERTFNTAFNTBLMNA
SCHEMBL5970983 0.81 SIRT5 (0.55) HPGDSSIRT5
SCHEMBL5970139 0.81 SIRT5 (0.55) HPGDSSIRT5
SCHEMBL5970372 0.78 SIRT5 (0.54) SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP claimed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO claimed
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP disclosed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO disclosed
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