SCHEMBL7849871

SCHEMBL7849871

CC(C)C[C@@H](C(=O)Nn1c(=O)[nH]c2ccsc2c1=O)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
TP53 P04637 1/20 0.42
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP7 P09237 3/20 0.38
APP P05067 1/20 0.38
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
SCHEMBL7849870 1.00 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7843343 0.88 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7960589 0.88 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7849158 0.88 MMP1 (0.45) SMN1; SMN2MMP1MMP13MMP8MMP2
SCHEMBL7849154 0.88 MMP1 (0.45) SMN1; SMN2MMP1MMP13MMP8MMP2
SCHEMBL7847971 0.88 HPGD (0.47) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7847147 0.86 MMP1 (0.43) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7847144 0.86 MMP1 (0.43) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7955739 0.85 MMP1 (0.49) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7955742 0.85 MMP1 (0.49) MMP1MMP13MMP8MMP2MMP3

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
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed