SCHEMBL8096910

SCHEMBL8096910

CC(C)NC(=O)OC1SCN(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.34
KCNH2 Q12809 1/20 0.34
KCNA3 P22001 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
SCHEMBL8098709 0.85 TRPM8 (0.39)
SCHEMBL8099351 0.84 RECQL (0.38) SMN1; SMN2GAAPOLBUSP2ALDH1A1
SCHEMBL8104045 0.84 NPSR1 (0.46) SMN1; SMN2POLBMAPTCYP1A2TSHR
SCHEMBL8097540 0.82 POLB (0.36) CASP3HPGDSMN1; SMN2GAAPOLB
SCHEMBL8099299 0.80 USP2 (0.36) USP2CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL8090439 0.80 CYP1A2 (0.53) HPGDGAAPOLBUSP2ALDH1A1
SCHEMBL8105900 0.78 AR (0.41) CYP1A2CYP2D6CYP2C19
SCHEMBL8107067 0.78 ACACB (0.47) SMN1; SMN2GAAATML3MBTL1POLB
SCHEMBL8099572 0.78 ACACB (0.47) SMN1; SMN2GAAATML3MBTL1POLB
SCHEMBL8090426 0.74 LMNA (0.40) SMN1; SMN2GAAALDH1A1MAPTKCNH2

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