SCHEMBL9817337

SCHEMBL9817337

O=C(COc1cc([N+](=O)[O-])ccc1O)OCC#CI

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR35 Q9HC97 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 5/20 0.36
ERN1 O75460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL9817255 0.82 MEN1 (0.40) ALDH1A1SMN1; SMN2GPR35HPGDMAPK1
SCHEMBL3026826 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDMAPK1KMT2A
SCHEMBL9817283 0.81 ITGA4 (0.41) ALDH1A1SMN1; SMN2GPR35TP53HPGD
SCHEMBL9817323 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GPR35TP53HPGD
SCHEMBL9817230 0.77 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2HPGDTSHRGAA
SCHEMBL31324800 0.76 PTGDR2 (0.62) PTGDR2ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL9817335 0.75 PTGDR2 (0.39) PTGDR2ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL10788795 0.73 LMNA (0.49) ALDH1A1SMN1; SMN2TSHRKMT2AGAA
SCHEMBL27456246 0.71 MAPT (0.50) PTGDR2ALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL11310846 0.71 MEN1 (0.42) ALDH1A1SMN1; SMN2GPR35TP53HPGD

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