SCHEMBL21660967

SCHEMBL21660967

CC(CBr)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.72
▸ REN P00797 4/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ F2 P00734 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ LTA4H P09960 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ PEPD P12955 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ HTR2A P28223 1/20 0.72
▸ PTGS2 P35354 1/20 0.72
▸ HRH1 P35367 1/20 0.72
▸ THPO P40225 1/20 0.72
▸ PMP22 Q01453 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ ACE2 Q9BYF1 1/20 0.72
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL19362588 1.00 ACE (0.72) ACERENKDM4EF2LMNA
SCHEMBL10802283 1.00 ACE (0.72) ACERENKDM4EF2LMNA
SCHEMBL10856632 1.00 ACE (0.72) ACERENKDM4EF2LMNA
SCHEMBL6788721 0.87 ACE (0.77) ACERENKDM4EF2LMNA
SCHEMBL6788727 0.87 ACE (0.77) ACERENKDM4EF2LMNA
SCHEMBL6788835 0.87 ACE (0.85) ACERENKDM4EF2LMNA
SCHEMBL12680174 0.85 ACE (0.74) ACERENKDM4EF2LMNA
SCHEMBL29426304 0.85 ACE (0.74) ACERENKDM4EF2LMNA
SCHEMBL15223628 0.85 ACE (0.74) ACERENKDM4EF2LMNA
SCHEMBL19235752 0.85 ACE (0.74) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028593-A9 A METHOD OF TREATING ER MUTANT EXPRESSING BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) Oncternal Therapeutics, Inc. (US) 2021-03-18 — — WO disclosed
WO-2020028593-A1 A METHOD OF TREATING ER MUTANT EXPRESSING BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) Oncternal Therapeutics, Inc. (US) 2020-02-06 — — WO disclosed
CN-103086940-B Synthetic method of 1-(3-mercapto-2-D-methyl propionyl)-L-proline HUAZHONG PHARMACEUTICAL CO LTD 2014-07-09 — — CN disclosed
CN-103086940-A Synthetic method of 1-(3-mercapto-2-D-methyl propionyl)-L-proline HUAZHONG PHARMACEUTICAL CO LTD 2013-05-08 — — CN disclosed
CN-103086939-A Recrystallization method of 1-(3-bromo-2-D-methyl propionyl)pyrrolidine-2-carboxylic acid HUAZHONG PHARMACEUTICAL CO LTD 2013-05-08 — — CN disclosed
CN-103086939-A Recrystallization method of 1-(3-bromo-2-D-methyl propionyl)pyrrolidine-2-carboxylic acid HUAZHONG PHARMACEUTICAL CO LTD 2013-05-08 — — CN disclosed
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