SCHEMBL9817338

SCHEMBL9817338

O=C(CCc1cc(Cl)ccc1O)OCC#CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
HIF1A Q16665 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 3/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 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
SCHEMBL9817397 0.86 KMT2A (0.44) HPGDHIF1AMEN1KMT2AALOX15
SCHEMBL9817277 0.81 CYP4F2 (0.47) AKR1B1APPNPC1
SCHEMBL9817323 0.80 ALDH1A1 (0.41) HPGDMEN1KMT2AMAPTHTT
SCHEMBL3136286 0.76 MEN1 (0.50) HPGDHIF1AMEN1KMT2AALOX15
SCHEMBL7519491 0.73 ALOX15 (0.59) HPGDHIF1AMEN1KMT2AALOX15
SCHEMBL1418003 0.73 HIF1A (0.59) HPGDHIF1AMEN1KMT2AALOX15
SCHEMBL11310766 0.73 GAA (0.41) MEN1KMT2ACYP3A4IDO1HTT
SCHEMBL9817336 0.73 HIF1A (0.41) HPGDHIF1AMEN1KMT2AALOX15
SCHEMBL9817289 0.72 AKR1B1 (0.49) HIF1AMEN1KMT2AMAPTCYP3A4
SCHEMBL11308825 0.71 GAA (0.51) MEN1KMT2AMAPTCYP3A4IDO1

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