SCHEMBL7102441

SCHEMBL7102441

C[C@H](N)C(=O)NC(=O)[C@@H]1CC(C2CCCCC2)CN1CCc1ccc(NCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.34
HRH3 Q9Y5N1 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
XIAP P98170 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7101675 0.91 PTGER4 (0.35) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7100961 0.80 XIAP (0.35) ACEMEN1KMT2AUSP2LMNA
Hydrochloric Acid SCHEMBL8694344 0.77 CPB1 (0.32)
Hydrochloric Acid SCHEMBL7148146 0.76 F2 (0.46)
SCHEMBL7144656 0.75 F2 (0.45)
SCHEMBL7139402 0.74 PTGER4 (0.36) ACEMEN1KMT2AUSP2LMNA
Hydrochloric Acid SCHEMBL7142554 0.74 PTGER4 (0.35) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7249630 0.74 NPC1 (0.30) KMT2A
Hydrochloric Acid SCHEMBL7315208 0.74
SCHEMBL7361838 0.73 PTGER4 (0.35) ACEMEN1KMT2AUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed