SCHEMBL8897119

SCHEMBL8897119

CC(C)C[C@@H](C(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.58
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ANPEP P15144 1/20 0.53
RNPEP Q9H4A4 1/20 0.53
DNPEP Q9ULA0 1/20 0.53
CYP1A2 P05177 1/20 0.52
MME P08473 2/20 0.51

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
SCHEMBL21264079 0.87 ACE (0.65) ACESLC1A3SLC1A2SLC1A1ANPEP
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL4755513 0.86 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1NPC1
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL305323 0.86 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1NPC1
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL2919214 0.86 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1NPC1
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 0.86 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1NPC1
SCHEMBL27471453 0.83 ACE (0.47) ACESLC1A3SLC1A2SLC1A1ANPEP
SCHEMBL6940090 0.83 ACE (0.47) ACESLC1A3SLC1A2SLC1A1ANPEP
SCHEMBL5511480 0.82 SLC1A3 (0.63) ACESLC1A3SLC1A2SLC1A1NPC1
SCHEMBL883357 0.82 SLC1A3 (0.63) ACESLC1A3SLC1A2SLC1A1NPC1
SCHEMBL24252143 0.81 SLC1A3 (0.61) ACESLC1A3SLC1A2SLC1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed