SCHEMBL2651089

SCHEMBL2651089

O=Cc1ccc(OCC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.47
MAPT P10636 2/20 0.41
ROCK2 O75116 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
ROCK1 Q13464 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 3/20 0.39

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
SCHEMBL2664435 0.81 GCGR (0.54) GCGRMAPTL3MBTL1NPC1RAB9A
SCHEMBL2664404 0.76 GCGR (0.82) GCGR
SCHEMBL2649228 0.74 PTGDR2 (0.66) MAPTL3MBTL1SMN1; SMN2TDP1PTGDR2
SCHEMBL2663792 0.73 GCGR (0.50) GCGRMAPTLMNASMN1; SMN2TDP1
SCHEMBL2649446 0.71 KDM4E (0.61) MAPTLMNANPC1SMN1; SMN2PTGDR2
SCHEMBL24133288 0.69 USP2 (0.54) MAPTLMNAMAPK1CASP3NPC1
SCHEMBL5881979 0.69 PTGDR2 (0.59) MAPTL3MBTL1RAB9ATDP1PTGDR2
SCHEMBL239362 0.68 L3MBTL1 (0.50) MAPTROCK2TNKSPARP1ROCK1
SCHEMBL16563628 0.68 MMP2 (0.51) MAPTNPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL10260277 0.68 ROCK2 (0.73) MAPTROCK2TNKSPARP1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed