SCHEMBL7401715

SCHEMBL7401715

CCC(C)C(NC(=O)C(Cc1ccc(OC(F)(F)F)cc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(n2ccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
BACE1 P56817 7/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
APP P05067 1/20 0.42
REN P00797 6/20 0.41
CTSD P07339 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL7401713 1.00 KMT2A (0.45) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7401710 1.00 KMT2A (0.45) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7397446 0.95 PSEN1 (0.44) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7397443 0.95 PSEN1 (0.44) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7397440 0.95 PSEN1 (0.44) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7400786 0.91 PSEN1 (0.43) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7400785 0.91 PSEN1 (0.43) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7402102 0.91 PSEN1 (0.43) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7402100 0.91 PSEN1 (0.43) KMT2ABACE1PSEN1PSEN2APH1B
SCHEMBL7400788 0.91 PSEN1 (0.43) KMT2ABACE1PSEN1PSEN2APH1B

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
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO claimed
EP-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO disclosed