SCHEMBL11041218

SCHEMBL11041218

CON(C)C(=O)Nc1cccc(OCCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
EPHX2 P34913 2/20 0.49
NLRP3 Q96P20 1/20 0.47
PPARA Q07869 3/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11040920 0.92 SIRT2 (0.43) NPC1RAB9AEPHX2PPARAHTT
SCHEMBL11041569 0.88 HPGD (0.53) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL11046557 0.86 PSMB5 (0.48) NPC1NLRP3HPGDHTTSIRT2
SCHEMBL11038572 0.86 LMNA (0.53) ALDH1A1GAAMAPTHPGDTSHR
SCHEMBL11039230 0.86 SIRT2 (0.45) RAB9AGAASIRT2LMNATDP1
SCHEMBL11037929 0.86 SIRT2 (0.55) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL9799045 0.86 RAB9A (0.53) NPC1RAB9ASIRT2SMN1; SMN2MEN1
SCHEMBL11041787 0.86 ALDH1A1 (0.48) NLRP3ALDH1A1MAPTHPGDHTT
SCHEMBL11037849 0.85 MEN1 (0.44) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL11041771 0.85 RAB9A (0.55) NPC1RAB9AEPHX2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed