SCHEMBL7269541

SCHEMBL7269541

CC(C)CC(C(=O)OC(C)(C)C)[C@@](N)(O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ATM Q13315 2/20 0.37
▸ NPSR1 Q6W5P4 6/20 0.37
▸ POLB P06746 5/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PDE3A Q14432 1/20 0.37

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
SCHEMBL7285409 1.00 MAPT (0.37) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7295375 1.00 MAPT (0.37) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7294807 0.80 REN (0.39) MAPTKMT2ARECQLMEN1ALDH1A1
SCHEMBL7288255 0.77 MAPT (0.36) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7278158 0.75 TSHR (0.35) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7278156 0.75 TSHR (0.35) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7316671 0.75 TSHR (0.35) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL8604140 0.68 CTSK (0.46) POLB
SCHEMBL14350312 0.68 LMNA (0.42) MAPTMAPK1KMT2AATMPOLB
SCHEMBL4491943 0.68 CETP (0.45) ALDH1A1BLMTSHRSMN1; SMN2L3MBTL1

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
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