SCHEMBL6533675

SCHEMBL6533675

Cc1cc(CCO)nn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RIPK1 Q13546 5/20 0.42
NPY5R Q15761 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL16804455 0.86 MAPT (0.63) MAPK1POLBMAPTCA1CA2
SCHEMBL12895594 0.83 ALDH1A1 (0.46) MAPK1POLBMAPTCNR1CNR2
SCHEMBL12895593 0.83 CNR1 (0.46) MAPK1POLBMAPTCNR1CNR2
SCHEMBL13860460 0.80 CYP1A2 (0.53) MAPK1POLBMAPTCA1CA2
SCHEMBL2832928 0.79 MAPK1 (0.47) MAPK1POLBMAPTCNR1CNR2
SCHEMBL28433874 0.79 MAPK1 (0.47) MAPK1POLBMAPTCNR1CNR2
SCHEMBL3300449 0.79 MAPK1 (0.47) MAPK1POLBMAPTCNR1CNR2
SCHEMBL9978383 0.78 SIGMAR1 (0.59) ALDH1A1L3MBTL1
SCHEMBL17369123 0.77 CNR1 (0.41) MAPK1POLBMAPTCNR1CNR2
SCHEMBL6099458 0.76 MAPT (0.49) MAPK1POLBMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 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