SCHEMBL6950440

SCHEMBL6950440

O=C(O)CCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.64
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MME P08473 2/20 0.53
ECE1 P42892 2/20 0.53
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
SIRT5 Q9NXA8 4/20 0.53
HTT P42858 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52

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
SCHEMBL13324010 0.89 SIRT2 (0.61) FOLH1SIRT2SIRT1CAPN1CAPN2
SCHEMBL19307785 0.89 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL9697060 0.89 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL19925534 0.89 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL9698236 0.89 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL24238520 0.89 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL910233 0.88 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL910232 0.88 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL910423 0.88 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1
Benzene SCHEMBL28226069 0.88 FOLH1 (0.70) FOLH1SIRT2SIRT1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed