SCHEMBL6289580

SCHEMBL6289580

CC(C)(C)c1ccc(C(NC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.64
NR1H4 Q96RI1 3/20 0.64
TRPV1 Q8NER1 2/20 0.59
CNR1 P21554 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
FPR2 P25090 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
CNR2 P34972 1/20 0.46
SRD5A2 P31213 2/20 0.46

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
SCHEMBL4096999 0.88 TRPV1 (0.63) EPHX2NR1H4TRPV1FPR2HPGD
SCHEMBL22059470 0.80 NR1H4 (1.00) EPHX2NR1H4TRPV1MEN1MAPT
SCHEMBL7877746 0.80 EPHX2 (0.90) EPHX2NR1H4TRPV1MAPTNPC1
SCHEMBL2657682 0.79 NR1H4 (0.52) EPHX2NR1H4MEN1MAPTKMT2A
SCHEMBL14333684 0.79 FPR2 (0.55) EPHX2TRPV1CNR1MEN1MAPT
SCHEMBL4092078 0.78 TRPV1 (0.63) EPHX2NR1H4TRPV1MEN1MAPT
SCHEMBL14334007 0.78 TRPM8 (0.68) EPHX2TRPV1
SCHEMBL15021824 0.77 TRPM8 (0.69) TRPV1
SCHEMBL3873116 0.74 NR1H4 (0.81) EPHX2NR1H4TRPV1MEN1KMT2A
SCHEMBL7297239 0.74 NR1H4 (0.81) EPHX2NR1H4TRPV1MEN1KMT2A

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
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed