SCHEMBL7594570

SCHEMBL7594570

CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(O)C2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
KMT2A Q03164 3/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
BTK Q06187 1/20 0.33
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7594567 1.00 F2 (0.36) F2F10PRSS1KMT2AABL1
SCHEMBL7570993 0.82 F2 (0.38) F2F10PRSS1KMT2AABL1
SCHEMBL10907327 0.82 F2 (0.38) F2F10PRSS1KMT2AABL1
SCHEMBL7594673 0.82 KMT2A (0.36) F2F10PRSS1KMT2AABL1
SCHEMBL7594680 0.82 KMT2A (0.36) F2F10PRSS1KMT2AABL1
SCHEMBL7902399 0.81 ALDH1A1 (0.40) F2F10PRSS1KMT2AABL1
SCHEMBL7902401 0.81 ALDH1A1 (0.40) F2F10PRSS1KMT2AABL1
SCHEMBL7897384 0.73 F2 (0.56) F2F10PRSS1KMT2AGAA
SCHEMBL7897381 0.73 F2 (0.56) F2F10PRSS1KMT2AGAA
SCHEMBL10038840 0.73 ABL1 (0.40) KMT2AABL1RIN1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed