SCHEMBL2785015

SCHEMBL2785015

CCC(=O)Oc1c(Nc2ccccc2C(=O)c2ccccc2)cccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BRD4 O60885 1/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
PPARG P37231 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
ATM Q13315 1/20 0.44
PTGER1 P34995 1/20 0.43
CLCN2 P51788 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 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
SCHEMBL5339466 0.77 PTPN1 (0.56) MEN1KMT2ABRD4ATMPTGER1
SCHEMBL4648482 0.77 ELANE (0.36) PPARGALDH1A1HTTNPSR1L3MBTL1
SCHEMBL4068968 0.77 PPARG (0.56) PPARG
SCHEMBL7636675 0.76 MRGPRX4 (0.57) BRD4PTGER1ALDH1A1HPGDTDP1
SCHEMBL8670382 0.76 SGMS2 (0.60) MEN1KMT2ASGMS2ATMALDH1A1
SCHEMBL5345373 0.75 HTR1A (0.51) BRD4PTGER1HPGDTDP1L3MBTL1
SCHEMBL7641375 0.75 NPC1 (0.53) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL288436 0.74 MAPT (0.46) BRD4SGMS2PTGER1HPGDHTT
SCHEMBL8025089 0.74 HTT (0.59) MEN1KMT2ABRD4SGMS2PTGER1
SCHEMBL7898878 0.73 CDC25B (0.46) MEN1KMT2ACLCN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3255930-B2 2002-02-12 JP claimed
JP-2000507216-A 2000-06-13 JP claimed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP claimed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO claimed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 WO disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed