SCHEMBL7665673

SCHEMBL7665673

CN(C(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
RXRA P19793 3/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
EPHX2 P34913 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
BRD4 O60885 2/20 0.40
LIPE Q05469 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 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
SCHEMBL22816955 0.96 PAX8 (0.48) PAX8RXRANR1H2NR1H3EPHX2
SCHEMBL8018111 0.85 PAX8 (0.55) PAX8RXRANR1H2NR1H3NPSR1
SCHEMBL7667615 0.81 LMNA (0.49) PAX8RXRANR1H2NR1H3NPSR1
SCHEMBL3427487 0.81 EPHX2 (0.40) EPHX2KMT2ATRPV1GPR119LIPE
SCHEMBL3425497 0.81 SERPINE1 (0.45) EPHX2TRPV1GPR119HDAC3HDAC4
SCHEMBL1875890 0.80 SERPINE1 (0.49) EPHX2KMT2AGPBAR1TRPV1LIPE
SCHEMBL15504635 0.80 MAPT (0.57) RXRANR1H2NR1H3EPHX2RAB9A
SCHEMBL27915004 0.80 GPBAR1 (0.43) NR1H3EPHX2NPSR1MEN1RAB9A
SCHEMBL11031222 0.80 LIPE (0.43) PAX8RXRANR1H2NR1H3GPR119
SCHEMBL992564 0.79 RAB9A (0.50) PAX8RXRANR1H2NR1H3NPSR1

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-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed