SCHEMBL8098677

SCHEMBL8098677

CC(C)(C)NC(=O)OC1SCN(c2cccc(OC(F)(F)C(F)F)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
GPR142 Q7Z601 1/20 0.33
SCN9A Q15858 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL8103588 0.91 NOTUM (0.40) NOTUMCCKBRCSNK1E
SCHEMBL8105978 0.86 TP53 (0.42) MAPTALDH1A1LMNAPOLB
SCHEMBL2053916 0.84 MEN1 (0.38) MAPTALDH1A1LMNAPOLBNPC1
SCHEMBL8097583 0.84 NPC1 (0.37) MAPTALDH1A1NPC1CSNK1E
SCHEMBL8099147 0.84 POLB (0.41) MAPTALDH1A1LMNAPOLBNPC1
SCHEMBL8102959 0.83 SMN1; SMN2 (0.38) MAPTALDH1A1LMNASMN1; SMN2NOTUM
SCHEMBL8098702 0.83 ALDH1A1 (0.38) ALDH1A1RAB9A
SCHEMBL8098460 0.83 NTMT1 (0.35) MAPTALDH1A1CSNK1E
SCHEMBL8097382 0.82 FAAH (0.32) ALDH1A1
SCHEMBL8096915 0.82 ALDH1A1 (0.38) ALDH1A1LMNANPC1RAB9ARAF1

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