SCHEMBL8538331

SCHEMBL8538331

CCCOc1ccc(C(C=NOC(C)c2ccccc2C(=NOCC)C(=O)OC)=NOC)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.37
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL7494764 0.95 HIF1A (0.40) HIF1AMAPTTHRATHRB
SCHEMBL7742093 0.91 HIF1A (0.42) HIF1AL3MBTL1MAPTLMNACYP1A2
SCHEMBL8543773 0.90 HIF1A (0.35) HIF1AL3MBTL1MAPTLMNA
SCHEMBL7493430 0.87 HIF1A (0.33) HIF1AL3MBTL1MAPTTHRATHRB
SCHEMBL7501618 0.87 HIF1A (0.40) HIF1ALMNA
SCHEMBL7500395 0.85 HIF1A (0.39) HIF1AL3MBTL1MAPTLMNA
SCHEMBL7501826 0.83 HIF1A (0.34) HIF1AL3MBTL1MAPTLMNACYP1A2
SCHEMBL7502694 0.83 HIF1A (0.42) HIF1ALMNA
SCHEMBL7498115 0.80 HIF1A (0.36) HIF1A
SCHEMBL7545134 0.79 KAT6A (0.34) HIF1ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed