SCHEMBL7280783

SCHEMBL7280783

COc1ccc(C[C@](C)(N)C(=O)O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
HIF1A Q16665 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
SLC2A1 P11166 2/20 0.45
HPGDS O60760 1/20 0.44
CDC25B P30305 2/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.42
BLM P54132 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PLK1 P53350 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7280790 1.00 CYP2C9 (0.53) CYP2C9HIF1AMEN1KMT2AATM
SCHEMBL4848947 0.83 CYP2C9 (0.53) CYP2C9HIF1AMEN1KMT2AATM
SCHEMBL7271818 0.82 ALDH1A1 (0.54) HIF1AMEN1KMT2AIDO1ALDH1A1
SCHEMBL1133249 0.82 BLM (0.46) MEN1KMT2AIDO1ALDH1A1BLM
SCHEMBL7271822 0.82 ALDH1A1 (0.54) HIF1AMEN1KMT2AIDO1ALDH1A1
SCHEMBL10975672 0.78 HPGDS (0.59) CYP2C9HIF1AKMT2AHPGDSCDC25B
SCHEMBL10975665 0.78 HPGDS (0.59) CYP2C9HIF1AKMT2AHPGDSCDC25B
SCHEMBL6531713 0.76 TDP1 (0.53) MEN1KMT2AALDH1A1BLMKDM4E
SCHEMBL29981949 0.76 TDP1 (0.53) MEN1KMT2AALDH1A1BLMKDM4E
SCHEMBL27569974 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1BLMKDM4E

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-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed