SCHEMBL9811450

SCHEMBL9811450

CC(=O)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C(C)COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
MAPK1 P28482 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
ELANE P08246 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMD11 O00231 1/20 0.38
PSMD12 O00232 1/20 0.38
PSMD14 O00487 1/20 0.38
PSMA7 O14818 1/20 0.38

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
SCHEMBL9811470 1.00 GHSR (0.40) GHSRCA1CA2CA7CA9
SCHEMBL9811457 1.00 GHSR (0.40) GHSRCA1CA2CA7CA9
SCHEMBL9811593 0.81 MAPK1 (0.42) GHSRCA1CA2CA7CA9
SCHEMBL9811417 0.78 ALDH1A1 (0.40) EHMT2ELANEHSD11B1ALDH1A1
SCHEMBL9811413 0.78 ALDH1A1 (0.40) EHMT2ELANEHSD11B1ALDH1A1
SCHEMBL9811411 0.78 ALDH1A1 (0.40) EHMT2ELANEHSD11B1ALDH1A1
SCHEMBL10612304 0.77 MMP2 (0.40) CA1CA2L3MBTL1ALDH1A1
SCHEMBL10608816 0.77 MMP2 (0.40) CA1CA2L3MBTL1ALDH1A1
SCHEMBL10610597 0.77 MMP2 (0.40) CA1CA2L3MBTL1ALDH1A1
SCHEMBL9811368 0.72 GHSR (0.40) GHSREHMT2ELANEGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223588-B1 PROCESS FOR THE PREPARATION OF BETA-LACTAM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-12 EP disclosed
EP-0223588-A1 Process for the preparation of beta-lactam compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 EP disclosed