SCHEMBL9817264

SCHEMBL9817264

O=C(CCc1cccc([N+](=O)[O-])c1O)OCC#CI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 8/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
IAPP P10997 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 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
SCHEMBL9817282 0.82 ALDH1A1 (0.41) GPR35ALDH1A1MAPTTDP1MEN1
SCHEMBL9445177 0.81 CYP4F2 (0.54) GPR35ALDH1A1MAPTTDP1MEN1
SCHEMBL9817277 0.77 CYP4F2 (0.47) TDP1CYP4F2CYP4A11IAPP
SCHEMBL9817323 0.76 ALDH1A1 (0.41) GPR35ALDH1A1MAPTTDP1MEN1
SCHEMBL9817262 0.75 GPR35 (0.41) GPR35ERN1ALDH1A1MAPTTDP1
SCHEMBL11312676 0.75 MAOB (0.45) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL9817214 0.72 GPR35 (0.42) GPR35ALDH1A1MAPTTDP1MEN1
SCHEMBL1919090 0.70 CYP4F2 (0.63) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL27864868 0.70 GPR35 (0.53) GPR35ERN1ALDH1A1MAPTTDP1
SCHEMBL9817275 0.69 TDP1 (0.44) TDP1

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