SCHEMBL8103674

SCHEMBL8103674

CC#CC(C)(C)NC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 4/20 0.40
TSHR P16473 4/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPT P10636 3/20 0.39
ACACB O00763 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 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
SCHEMBL8103747 0.89 MCHR1 (0.48) MCHR1CA12CA1CA2CA9
SCHEMBL8096830 0.84 MCHR1 (0.44) MCHR1CA12CA1CA2CA9
SCHEMBL8103239 0.83 MEN1 (0.35) CA12CA1CA2CA9LMNA
SCHEMBL8096814 0.83 CA12 (0.47) MCHR1CA12CA1CA2CA9
SCHEMBL8089857 0.82 NPSR1 (0.47) MCHR1CA12CA1CA2CA9
SCHEMBL7613749 0.81 MCHR1 (0.50) MCHR1CA12CA1CA2CA9
SCHEMBL6203746 0.80 NOTUM (0.51) MCHR1CA12CA1CA2CA9
SCHEMBL8661980 0.78 ALDH1A1 (0.48) MCHR1CA12CA1CA2CA9
SCHEMBL8702280 0.78 NOTUM (0.42) MCHR1CA12CA1CA2CA9
SCHEMBL8106051 0.75 NOTUM (0.38) MCHR1LMNAPOLBUSP2ALOX15

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 4 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
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed