SCHEMBL7368037

SCHEMBL7368037

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3NC(=O)c3ccc(C(C)(C)C)cc3)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H4 Q96RI1 12/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PPARG P37231 5/20 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
SCHEMBL7367665 0.94 RAB9A (0.48) HPGDHTTRAB9AMAPTNPC1
SCHEMBL6172966 0.86 NR1H4 (0.46) MAPTMEN1KMT2ASMN1; SMN2NR1H4
SCHEMBL7370555 0.85 NR1H4 (0.59) SMN1; SMN2NR1H4RXFP1PPARGPPARD
SCHEMBL6177517 0.84 MAPT (0.42) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL6180125 0.84 NR1H4 (0.44) HPGDMEN1KMT2ANR1H4PPARG
SCHEMBL7367092 0.82 NR1H4 (0.46) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7373592 0.82 NR1H4 (0.43) HTTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7366476 0.82 HPGD (0.49) HPGDHTTRAB9AMAPTNPC1
SCHEMBL6170589 0.82 HPGD (0.57) HPGDHTTRAB9AMAPTNPC1
SCHEMBL6169264 0.80 HPGD (0.55) HPGDHTTRAB9AMAPTNPC1

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