SCHEMBL8758488

SCHEMBL8758488

CC(C)C[C@H](N)C(=O)OC(=O)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ SLC7A5 Q01650 1/20 0.42
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ ANPEP P15144 2/20 0.33
▸ RNPEP Q9H4A4 2/20 0.33
▸ DNPEP Q9ULA0 1/20 0.33
▸ GABRR3 A8MPY1 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ GABRB3 P28472 1/20 0.33

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
SCHEMBL15655614 0.87 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL542258 0.87 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL898814 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL9666285 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL2910121 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL1681185 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL9664677 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL15649603 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL17204053 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT
SCHEMBL9666101 0.83 LMNA (0.50) LMNATSHRKMT2AMAPT

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-0772669-A1 SALINE SOLUTION FOR TREATING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1997-05-14 — — EP disclosed
WO-1996003484-A1 SALINE SOLUTION FOR TREATING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1996-02-08 — — WO disclosed
Send feedback