SCHEMBL9817336

SCHEMBL9817336

C#CC(I)OC(=O)CCc1cc(Cl)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPA5 P11021 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9817395 0.87 HIF1A (0.42) HIF1AMEN1HPGDALOX15KMT2A
SCHEMBL9817271 0.81 CYP4F2 (0.39) MEN1KMT2AMAPTHSPA5IDO1
SCHEMBL3136286 0.75 MEN1 (0.50) HIF1AMEN1HPGDALOX15KMT2A
SCHEMBL9817338 0.73 HPGD (0.41) HIF1AMEN1HPGDALOX15KMT2A
SCHEMBL9817288 0.72 AKR1B1 (0.47) HIF1AHSPA5IDO1AKR1B1CA2
SCHEMBL1418003 0.72 HIF1A (0.59) HIF1AMEN1HPGDALOX15KMT2A
SCHEMBL7519491 0.72 ALOX15 (0.59) HIF1AMEN1HPGDALOX15KMT2A
SCHEMBL9817270 0.71 HDAC6 (0.41) IDO1CA1CA12CA9
SCHEMBL9621020 0.70 CYP2D6 (0.31) MAPTLMNA
SCHEMBL5724266 0.70 ALOX15 (0.55) HIF1AMEN1HPGDALOX15KMT2A

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-0248213-B1 HYDROXYPHENYL- AND HYDROXYPHENOXYALKANOIC ACID IODOPROPARGYL ESTERS THE DOW CHEMICAL COMPANY (US) 1991-10-30 EP disclosed
US-4731466-A FUNGICIDES THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
EP-0248213-A2 Hydroxyphenyl- and hydroxyphenoxyalkanoic acid iodopropargyl esters THE DOW CHEMICAL COMPANY (US) 1987-12-09 EP disclosed