SCHEMBL7163203

SCHEMBL7163203

CC(=O)Oc1c(N)cccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.67
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 4/20 0.67
MAPK1 P28482 1/20 0.67
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 1/20 0.52
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8667165 0.87 KDM4E (0.79) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL1708883 0.81 MMP2 (0.55) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL16719162 0.81 KDM4E (0.71) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL31226473 0.81 MMP2 (0.55) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL6264392 0.81 KDM4E (0.71) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL7167064 0.81 MMP2 (0.47) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL8676658 0.80 KDM4E (0.69) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL1315833 0.80 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDMAPK1
Dipyrocetyl SCHEMBL29508594 0.80 MAPK1 (1.00) HSD17B10KDM4EALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL29744423 0.80 MMP2 (0.53) HSD17B10KDM4EALDH1A1HPGDMAPK1

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-1218368-A4 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS HUTCHINSON FRED CANCER RES (US) 2003-04-16 EP disclosed
EP-1218368-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS Fred Hutchinson Cancer Research Center (US) 2002-07-03 EP disclosed
WO-2001014365-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2001-03-01 WO disclosed
CN-1036582-A The preparation method of polypeptide derivative OTSUKA CHEMICAL CO LTD (JP) 1989-10-25 CN disclosed