SCHEMBL6940090

SCHEMBL6940090

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.47
ATM Q13315 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
REN P00797 2/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
MAPK1 P28482 1/20 0.42
MME P08473 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
SCHEMBL27471453 1.00 ACE (0.47) ACEATMPOLBMAPTNPSR1
SCHEMBL7957368 0.92 MME (0.47) ACEATMPOLBMAPTNPSR1
SCHEMBL7837561 0.92 MME (0.47) ACEATMPOLBMAPTNPSR1
SCHEMBL15015724 0.90 SLC1A3 (0.51) ACEATMPOLBMAPTTDP1
SCHEMBL7280316 0.90 SLC1A3 (0.51) ACEATMPOLBMAPTTDP1
SCHEMBL7759196 0.86 POLB (0.49) POLBMAPTNPSR1TDP1REN
SCHEMBL7759200 0.86 POLB (0.49) POLBMAPTNPSR1TDP1REN
SCHEMBL6659518 0.84 MMP3 (0.45) ATMPOLBMAPTNPSR1TDP1
SCHEMBL6943292 0.84 MMP3 (0.45) ATMPOLBMAPTNPSR1TDP1
SCHEMBL6659520 0.84 MMP3 (0.45) ATMPOLBMAPTNPSR1TDP1

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
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed