SCHEMBL9817397

SCHEMBL9817397

O=C(Cc1cc(Cl)ccc1O)OCC#CI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
HIF1A Q16665 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
SLC22A1 O15245 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HSPD1 P10809 1/20 0.44
HSPA5 P11021 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9817338 0.86 HPGD (0.41) KMT2AHIF1AMEN1HPGDCYP3A4
SCHEMBL9817289 0.80 AKR1B1 (0.49) KMT2AHIF1AMEN1CYP3A4USP2
SCHEMBL9817283 0.79 ITGA4 (0.41) KMT2AMEN1HPGDMAPTSMN1; SMN2
SCHEMBL10785636 0.78 POLB (0.51) KMT2AMAPTALDH1A1TSHR
SCHEMBL6076931 0.78 MEN1 (0.57) KMT2AHIF1AMEN1HPGDCYP3A4
SCHEMBL10789794 0.75 KMT2A (0.42) KMT2AUSP2LMNAMAPTSMN1; SMN2
SCHEMBL4034721 0.74 EGFR (0.55) KMT2AHIF1AMEN1HPGDCYP3A4
SCHEMBL31306792 0.74 EGFR (0.55) KMT2AHIF1AMEN1HPGDCYP3A4
SCHEMBL10785203 0.73 ALDH1A1 (0.38) KMT2AMEN1HTTCYP2C9CYP2C19
SCHEMBL11310766 0.72 GAA (0.41) KMT2AMEN1CYP3A4HTTIDO1

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