SCHEMBL6945866

SCHEMBL6945866

CC(C)C[C@@H](C(=O)O)[C@H](CCOc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
RARB P10826 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
POLB P06746 3/20 0.37
RECQL P46063 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 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
SCHEMBL7759139 1.00 MAPK1 (0.45) MAPK1PPARAPPARGTDP1HPGD
SCHEMBL7759143 1.00 MAPK1 (0.45) MAPK1PPARAPPARGTDP1HPGD
SCHEMBL6819996 0.81 LTA4H (0.45) MAPK1PPARAPPARGTDP1HPGD
SCHEMBL6943292 0.80 MMP3 (0.45) PPARAPPARGTDP1HPGDPKM
SCHEMBL6659518 0.80 MMP3 (0.45) PPARAPPARGTDP1HPGDPKM
SCHEMBL6659520 0.80 MMP3 (0.45) PPARAPPARGTDP1HPGDPKM
SCHEMBL6943287 0.80 MMP3 (0.45) PPARAPPARGTDP1HPGDPKM
SCHEMBL6987281 0.80 MMP3 (0.45) PPARAPPARGTDP1HPGDPKM
SCHEMBL7763366 0.79 LTA4H (0.48) PPARAPPARGLTA4HEPHX2
SCHEMBL7763369 0.79 LTA4H (0.48) PPARAPPARGLTA4HEPHX2

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