SCHEMBL6497794

SCHEMBL6497794

[CH2]NC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.56
ABCB1 P08183 1/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
GFER P55789 1/20 0.53
MCL1 Q07820 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL16677971 0.82 MAPT (0.67) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL1437082 0.82 MEN1 (0.62) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL4143482 0.82 ALDH1A1 (0.77) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL26348677 0.81 MEN1 (0.60) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL2451128 0.81 ALDH1A1 (0.66) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL7952955 0.80 KMT2A (0.69) MEN1KMT2AMAPK1POLBTDP1
SCHEMBL13753811 0.79 ALDH1A1 (0.74) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL6500203 0.79 CYP1A2 (0.63) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL10887439 0.78 MEN1 (0.57) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL8599574 0.78 KMT2A (0.71) MEN1KMT2AMAPK1POLBTDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
EP-1045841-B1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY CHOONGWAE PHARMA CORP (KR) 2002-12-04 EP claimed
US-6262083-B1 Genipin derivative having liver protection activity CHOONGWAE PHARMA CORPORATION (KR) 2001-07-17 US claimed
EP-1045841-A1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY Choongwae Pharma Corporation (KR) 2000-10-25 EP claimed
WO-1999023090-A1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY CHOONGWAE PHARMA CORPORATION (KR) 1999-05-14 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
EP-1045841-B1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY CHOONGWAE PHARMA CORP (KR) 2002-12-04 EP disclosed
US-6262083-B1 Genipin derivative having liver protection activity CHOONGWAE PHARMA CORPORATION (KR) 2001-07-17 US disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-1045841-A1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY Choongwae Pharma Corporation (KR) 2000-10-25 EP disclosed
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
WO-1999023090-A1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY CHOONGWAE PHARMA CORPORATION (KR) 1999-05-14 WO disclosed