SCHEMBL9817271

SCHEMBL9817271

C#CC(I)OC(=O)CCc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
AKR1B1 P15121 1/20 0.38
TYR P14679 1/20 0.37
IAPP P10997 2/20 0.36
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSPA5 P11021 1/20 0.34
MPO P05164 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL9817288 0.85 AKR1B1 (0.47) TAAR1AKR1B1TYRHSPA5IDO1
SCHEMBL9817336 0.81 HIF1A (0.41) AKR1B1MEN1POLBMAPTKMT2A
SCHEMBL9817322 0.77 CTSB (0.41) MEN1KMT2ATDP1
SCHEMBL30410323 0.77 TSHR (0.49) CYP4F2CYP4A11NPC1PKMRAB9A
SCHEMBL14360117 0.77 TSHR (0.49) CYP4F2CYP4A11NPC1PKMRAB9A
SCHEMBL9817390 0.77 ESR1 (0.40) CYP4F2CYP4A11MEN1POLBMAPT
SCHEMBL9817228 0.74 HPGD (0.46) NPC1RAB9AMAPT
SCHEMBL28613245 0.74 CYP4F2 (0.48) CYP4F2CYP4A11NPC1PKMRAB9A
SCHEMBL29852765 0.72 NPC1 (0.52) CYP4F2CYP4A11NPC1PKMRAB9A
SCHEMBL607310 0.72 NPC1 (0.52) CYP4F2CYP4A11NPC1PKMRAB9A

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