SCHEMBL11041787

SCHEMBL11041787

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NLRP3 Q96P20 1/20 0.47
GRM4 Q14833 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSMB5 P28074 1/20 0.42
THRB P10828 1/20 0.42
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
F10 P00742 1/20 0.41
CACNA1B Q00975 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
AHR P35869 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11041569 0.88 HPGD (0.53) ALDH1A1TDP1PSMB5HPGDSMN1; SMN2
SCHEMBL11046557 0.86 PSMB5 (0.48) NLRP3SIRT2PSMB5THRBHPGD
SCHEMBL11038572 0.86 LMNA (0.53) ALDH1A1SIRT2PSMB5THRBHPGD
SCHEMBL11037929 0.86 SIRT2 (0.55) ALDH1A1KDM4ESIRT2TDP1THRB
SCHEMBL11039230 0.86 SIRT2 (0.45) SIRT2TDP1LMNAFFAR1
SCHEMBL9799045 0.86 RAB9A (0.53) SIRT2SMN1; SMN2FFAR1MEN1KMT2A
SCHEMBL11041218 0.86 NPC1 (0.50) ALDH1A1NLRP3SIRT2TDP1HPGD
SCHEMBL11037849 0.85 MEN1 (0.44) ALDH1A1SIRT2TDP1PSMB5THRB
SCHEMBL11041771 0.85 RAB9A (0.55) ALDH1A1SIRT2TDP1MEN1MAPT
SCHEMBL11042909 0.84 MAPT (0.46) ALDH1A1SIRT2TDP1THRBLMNA

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 1 patent. 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