SCHEMBL7902175

SCHEMBL7902175

O=C(O)CC[C@@H](NC(=O)Nc1ccc(N(CCCl)CCCl)c(F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.48
CCKBR P32239 1/20 0.43
NAALAD2 Q9Y3Q0 3/20 0.42
RIMKLA Q8IXN7 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL4460828 1.00 FOLH1 (0.48) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL8815091 0.93 NAALAD2 (0.46) FOLH1NAALAD2GAA
SCHEMBL8723910 0.92 KMT2A (0.42) FOLH1
SCHEMBL8722915 0.89 FOLH1 (0.48) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL7906574 0.88 FOLH1 (0.49) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL7894806 0.88 FOLH1 (0.49) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL7900456 0.87 FOLH1 (0.48) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL4458797 0.83 FOLH1 (0.58) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL7902186 0.83 FOLH1 (0.58) FOLH1CCKBRNAALAD2RIMKLAGAA
SCHEMBL28905229 0.83 TYMS (0.53) FOLH1CCKBR

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
US-6277880-B1 ANTIBODY DIRECTED ENZYME PRODUG THERAPY ZENECA LIMITED (GB) 2001-08-21 US disclosed
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP disclosed