SCHEMBL8097583

SCHEMBL8097583

CC(C)(C)NC(=O)OC1SCN(c2cccc(Oc3ccccc3)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
CSNK1E P49674 1/20 0.37
PKM P14618 1/20 0.36
FKBP1A P62942 1/20 0.36
CCR8 P51685 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
MGLL Q99685 1/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.35
ADAM17 P78536 1/20 0.34
HIF1A Q16665 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL8105978 0.89 TP53 (0.42) MAPTALDH1A1TP53
SCHEMBL8097540 0.89 POLB (0.36) NPC1MAPTALDH1A1ALOX5TP53
SCHEMBL8103588 0.87 NOTUM (0.40) CSNK1E
SCHEMBL8098702 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8102959 0.86 SMN1; SMN2 (0.38) PKMMAPTALDH1A1
SCHEMBL8098460 0.86 NTMT1 (0.35) CSNK1EMAPTALDH1A1TP53
SCHEMBL8097382 0.85 FAAH (0.32) ALDH1A1MGLLTP53
SCHEMBL8099147 0.85 POLB (0.41) NPC1MAPTALDH1A1TP53
SCHEMBL8096915 0.85 ALDH1A1 (0.38) NPC1ALDH1A1MGLLALOX5
SCHEMBL8098677 0.84 MAPT (0.38) NPC1CSNK1EMAPTALDH1A1

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