SCHEMBL8090258

SCHEMBL8090258

CC(C)(C)NC(=O)OC1OCCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL8089010 0.90 TSHR (0.41) CA12CA1CA2CA9MEN1
SCHEMBL8103747 0.83 MCHR1 (0.48) CA12CA1CA2CA9NOTUM
SCHEMBL8663599 0.82 SMN1; SMN2 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL8096830 0.81 MCHR1 (0.44) CA12CA1CA2CA9NOTUM
SCHEMBL8096549 0.80 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL8604446 0.80 TP53 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL8604039 0.80 TSHR (0.39) CA12CA1CA2CA9MEN1
SCHEMBL2053916 0.78 MEN1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL8607080 0.77 NOTUM (0.40) NOTUMMCHR1
SCHEMBL8099260 0.77 MEN1 (0.38) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed