SCHEMBL8089997

SCHEMBL8089997

COc1cccc(C2NC(=O)C(O)S2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 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
SCHEMBL8098691 0.84 PPARG (0.45) ALDH1A1HPGDMAPTTSHRMEN1
SCHEMBL10972682 0.84 ALDH1A1 (0.65) DDB1CRBNALDH1A1HPGDMAPT
SCHEMBL8089861 0.83 ALDH1A1 (0.49) DDB1CRBNALDH1A1HPGDMAPT
SCHEMBL8097874 0.81 MAPT (0.49) ALDH1A1HPGDMAPTTSHRMEN1
SCHEMBL8090376 0.80 ALDH1A1 (0.43) ALDH1A1HPGDMAPTTSHRKDM4E
SCHEMBL8090390 0.78 ALDH1A1 (0.68) ALDH1A1HPGDMAPTTSHRKDM4E
SCHEMBL8096856 0.78 TSHR (0.46) DDB1CRBNALDH1A1HPGDMAPT
SCHEMBL8097532 0.78 ALDH1A1 (0.46) ALDH1A1HPGDMAPTTSHRGAA
SCHEMBL8103668 0.77 MAPT (0.46) ALDH1A1HPGDMAPTTSHRKDM4E
SCHEMBL8097455 0.75 ALDH1A1 (0.40) DDB1CRBNALDH1A1HPGDMAPT

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