SCHEMBL7365088

SCHEMBL7365088

O=C(O)c1ccc2cc(C(=O)OCc3ccccc3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MMP2 P08253 3/20 0.50
MMP12 P39900 3/20 0.50
MMP9 P14780 2/20 0.50
MMP1 P03956 2/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
SRD5A2 P31213 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL15876112 0.86 GRIN2D (0.58) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL3964905 0.85 IDO1 (0.61) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL30741601 0.85 IDO1 (0.61) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL27574695 0.83 IDO1 (0.60) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL7423686 0.83 LMNA (0.46) HRH3MMP2MMP12MMP9MMP1
SCHEMBL6417272 0.82 HRH3 (0.80) HRH3CASP3SENP8SENP7SENP6
SCHEMBL22939051 0.82 KDM4E (0.70) HRH3MMP2MMP12MMP9MMP1
SCHEMBL7685975 0.80 RAB9A (0.59) HRH3MMP2MMP12MMP9MMP1
SCHEMBL30147498 0.80 ALDH1A1 (0.52) HRH3MMP2MMP12MMP9MMP1
SCHEMBL6001946 0.79 KMT2A (0.64) KMT2ALMNASLC6A2SLC6A3TDP1

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-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed