SCHEMBL8097455

SCHEMBL8097455

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35

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 0.89 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8097587 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8097598 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8098680 0.86 LMNA (0.38) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8096918 0.86 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPTNPSR1
SCHEMBL8099152 0.86 ALDH1A1 (0.38) ALDH1A1HPGDCYP2C19TSHRMAPT
SCHEMBL8098673 0.86 ALDH1A1 (0.54) ALDH1A1HPGDGAACYP2C19TSHR
SCHEMBL8097385 0.86 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPT
SCHEMBL8098463 0.86 ALDH1A1 (0.38) ALDH1A1HPGDDDB1CRBNTSHR
SCHEMBL8097010 0.85 HPGD (0.37) ALDH1A1HPGDCYP1A2TSHRMAPT

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