SCHEMBL2664435

SCHEMBL2664435

O=Cc1ccc(OCc2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.54
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A4 P31645 2/20 0.41
AR P10275 3/20 0.40
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
PPARG P37231 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
PTPRC P08575 1/20 0.37

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
SCHEMBL2663789 0.84 PTPN1 (0.45) RXRARXRBRXRGMAPTRAB9A
SCHEMBL2649711 0.84 GCGR (0.56) GCGRRXRARXRBRXRGMAPT
SCHEMBL3269606 0.82 SMN1; SMN2 (0.47) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3269301 0.82 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2651089 0.81 GCGR (0.47) GCGRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13581057 0.80 TUBB1 (0.51) MAPTSLC6A4ARPOLBMRGPRX4
SCHEMBL2649925 0.80 RAB9A (0.70) GCGRRXRARXRBRXRGMAPT
SCHEMBL2664414 0.80 KMT2A (0.49) GCGRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2539621 0.79 KDM4E (0.49) GCGRRXRARXRBRXRGMAPT
SCHEMBL1587491 0.79 CCNB2 (0.47) RXRARXRBRXRGMAPTRAB9A

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

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