SCHEMBL5065671

SCHEMBL5065671

CCCn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.68
CNR1 P21554 7/20 0.68
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
CREBBP Q92793 1/20 0.60
PLK1 P53350 1/20 0.58

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
SCHEMBL7347589 0.91 CNR2 (0.69) CNR2CNR1ALDH1A1
SCHEMBL9029183 0.89 LMNA (0.68) CNR2CNR1
SCHEMBL11903673 0.89 CNR2 (0.74) CNR2CNR1
SCHEMBL31052987 0.89 CNR2 (0.74) CNR2CNR1
SCHEMBL30373303 0.87 NR4A2 (0.69) ALDH1A1MAPTCREBBPPLK1
SCHEMBL2429622 0.87 NR4A2 (0.69) ALDH1A1MAPTCREBBPPLK1
SCHEMBL12168491 0.85 CNR2 (0.65) CNR2CNR1ALDH1A1MAPTCREBBP
SCHEMBL30384771 0.85 CNR2 (0.65) CNR2CNR1ALDH1A1MAPTCREBBP
SCHEMBL12643131 0.84 PLK1 (0.65) CNR2CNR1ALDH1A1MAPTCREBBP
SCHEMBL17885854 0.83 ALDH1A1 (0.70) CNR2CNR1ALDH1A1

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
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed
US-5552398-A TREATMENT OF IRRITABLE BOWEL DIARRHEA SMITHKLINE BEECHAM P.L.C. (GB) 1996-09-03 US disclosed
EP-0603220-A1 AZABICYCLIC COMPOUNDS AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed
WO-1993005040-A1 AZABICYCLIC COMPOUNDS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-18 WO disclosed