SCHEMBL7307699

SCHEMBL7307699

CC(C)(C)N(C(=O)O)[C@@H](CC1CCCCC1)C(=O)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.40
CTSS P25774 2/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR5 P51681 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7307705 1.00 ATM (0.42) ATMALDH1A1HPGDCTSSTSHR
SCHEMBL9740119 0.77 USP30 (0.44) ATMHPGDTSHRLMNAL3MBTL1
SCHEMBL7315141 0.77 RAB9A (0.44) ATMALDH1A1HPGDCTSSTSHR
SCHEMBL7315133 0.77 RAB9A (0.44) ATMALDH1A1HPGDCTSSTSHR
SCHEMBL7268082 0.72 CTSS (0.51) ALDH1A1HPGDCTSSL3MBTL1CTSL
SCHEMBL7275086 0.72 CTSS (0.51) ALDH1A1HPGDCTSSL3MBTL1CTSL
SCHEMBL7301956 0.70 ALDH1A1 (0.44) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL7301964 0.70 ALDH1A1 (0.44) ALDH1A1HPGDTSHRLMNANPSR1
SCHEMBL7312766 0.69 ALDH1A1 (0.50) ATMALDH1A1HPGDCTSSL3MBTL1
SCHEMBL7360069 0.68 ATM (0.39) ATMALDH1A1CTSSCTSLCTSK

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
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