SCHEMBL8641871

SCHEMBL8641871

O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.69
▸ CPB1 P15086 1/20 0.69
▸ CPB2 Q96IY4 1/20 0.69
▸ SIRT2 Q8IXJ6 3/20 0.62
▸ SIRT1 Q96EB6 3/20 0.62
▸ SIRT5 Q9NXA8 2/20 0.60
▸ MMP2 P08253 1/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ PTGER4 P35408 2/20 0.59
▸ SIRT3 Q9NTG7 2/20 0.59
▸ CTSL P07711 1/20 0.58
▸ CTSS P25774 1/20 0.58

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
SCHEMBL14519208 1.00 FOLH1 (0.69) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157462 0.98 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18907025 0.98 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18907028 0.98 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157482 0.98 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157463 0.98 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL16782306 0.93 SIRT2 (0.66) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL464715 0.93 FOLH1 (0.78) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL4561005 0.93 FOLH1 (0.78) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL806151 0.93 FOLH1 (0.78) FOLH1CPB1CPB2SIRT2SIRT1

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
EP-0832150-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-01 — — EP disclosed
WO-1996041830-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-27 — — WO disclosed
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