SCHEMBL9817323

SCHEMBL9817323

O=C(CCc1cc([N+](=O)[O-])ccc1O)OCC#CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
ITGA4 P13612 4/20 0.40
ITGB7 P26010 4/20 0.40
CTSB P07858 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 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
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL9817283 0.88 ITGA4 (0.41) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9817282 0.82 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9445187 0.81 MAPT (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9817338 0.80 HPGD (0.41) MEN1KMT2AMAPTPOLBHTT
SCHEMBL9817337 0.79 PTGDR2 (0.39) ALDH1A1KMT2AMAPTPOLBL3MBTL1
SCHEMBL9817277 0.77 CYP4F2 (0.47) TDP1APP
SCHEMBL9817264 0.76 GPR35 (0.42) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9817322 0.75 CTSB (0.41) ALDH1A1TDP1MEN1KMT2AITGA4
SCHEMBL10788795 0.73 LMNA (0.49) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9817214 0.72 GPR35 (0.42) ALDH1A1TDP1MEN1KMT2AMAPT

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