SCHEMBL7301956

SCHEMBL7301956

CC(C)(C)N(C(=O)O)[C@H](C(=O)c1ccco1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
POLB P06746 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AGTR1 P30556 1/20 0.42
RECQL P46063 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL7301964 1.00 ALDH1A1 (0.44) ALDH1A1POLBMEN1KMT2AAGTR1
SCHEMBL17076139 0.76 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1CES2
SCHEMBL17076138 0.76 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1CES2
SCHEMBL7307699 0.70 ATM (0.42) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7307705 0.70 ATM (0.42) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL6723623 0.70 POLB (0.51) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL8523234 0.69 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2AAGTR1
SCHEMBL17075966 0.69 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL17075965 0.69 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6714552 0.68 TRPM8 (0.38) ALDH1A1L3MBTL1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed