SCHEMBL8090624

SCHEMBL8090624

CC(C)NC(=O)OC1(C)SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.41
AR P10275 1/20 0.40
ACACB O00763 2/20 0.39
ENPP2 Q13822 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC11 Q96DB2 2/20 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
SCHEMBL8090366 0.76 AR (0.50) NPSR1ARSMN1; SMN2L3MBTL1NPC1
SCHEMBL8104045 0.75 NPSR1 (0.46) NPSR1HSD17B10ACACBCYP1A2CYP2C19
SCHEMBL8089857 0.72 NPSR1 (0.47) NPSR1HSD17B10ACACBSMN1; SMN2LMNA
SCHEMBL8090625 0.70 NPSR1 (0.45) NPSR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL8090292 0.70 NPSR1 (0.45) NPSR1HSD17B10ACACBCYP1A2CYP2C19
SCHEMBL8090458 0.69 NPSR1 (0.44) NPSR1HSD17B10ACACBCYP1A2CYP2C19
SCHEMBL8106095 0.68 NPSR1 (0.42) NPSR1HSD17B10ACACBCYP1A2CYP2C19
SCHEMBL9263773 0.67 ACACB (0.40) NPSR1HSD17B10ACACBSMN1; SMN2LMNA
SCHEMBL8577305 0.67 ALDH1A1 (0.61) ARCYP1A2SMN1; SMN2NPC1TP53
SCHEMBL8107067 0.65 ACACB (0.47) NPSR1HSD17B10ACACBSMN1; SMN2L3MBTL1

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