SCHEMBL8098680

SCHEMBL8098680

CC(C)(C)NC(=O)OC1SC(c2cccc(OC(F)(F)C(F)F)c2)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN9A Q15858 1/20 0.34
CETP P11597 6/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8103590 0.92 ALDH1A1 (0.38) ALDH1A1BRD4CREBBPMAPTCYP1A2
SCHEMBL8097455 0.86 ALDH1A1 (0.40) POLBALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL8097587 0.84 ALDH1A1 (0.39) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL8090064 0.83 GUSB (0.43) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8099152 0.83 ALDH1A1 (0.38) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL8097598 0.81 ALDH1A1 (0.38) LMNAALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL8097385 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096918 0.81 ALDH1A1 (0.38) LMNAPOLBALDH1A1MAPTNPC1
SCHEMBL8098673 0.81 ALDH1A1 (0.54) POLBALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL8098463 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR

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