SCHEMBL8344856

SCHEMBL8344856

NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
CA2 P00918 4/20 0.35
CA1 P00915 2/20 0.35
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
CTSB P07858 2/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TERT O14746 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL5435922 1.00 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8422216 1.00 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8722676 1.00 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8717768 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8717867 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL9228209 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8200006 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL18109901 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL9755020 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8427315 0.96 ECE1 (0.45) ECE1MEN1KMT2AALDH1A1RAB9A

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
US-5962430-A GENETIC ENGINEERED HYBRIDS LOOSMORE SHEENA M (CA) 1999-10-05 US disclosed
US-5939297-A HYBRID PROTEIN CONNAUGHT LABORATORIES LIMITED (CA) 1999-08-17 US disclosed
US-5935573-A HYBRID PROTEIN CONNAUGHT LABORATORIES LIMITED (CA) 1999-08-10 US disclosed