SCHEMBL9817283

SCHEMBL9817283

O=C(Cc1cc([N+](=O)[O-])ccc1O)OCC#CI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.41
ITGB7 P26010 4/20 0.41
CTSB P07858 1/20 0.41
NOX4 Q9NPH5 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.38
ERN1 O75460 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
SCHEMBL9817323 0.88 ALDH1A1 (0.41) ITGA4ITGB7CTSBMEN1CRHBP
SCHEMBL9817214 0.81 GPR35 (0.42) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL9817337 0.81 PTGDR2 (0.39) KMT2AALDH1A1TP53HPGDTSHR
SCHEMBL10788795 0.80 LMNA (0.49) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL2189271 0.80 EGFR (0.51) CTSBMEN1KMT2AALDH1A1TP53
SCHEMBL9817397 0.79 KMT2A (0.44) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL10785728 0.78 GPR35 (0.37) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL9817289 0.76 AKR1B1 (0.49) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL9817305 0.75 YWHAG (0.41) MEN1KMT2AALDH1A1HPGDGPR35
SCHEMBL9817280 0.74 ITGA4 (0.40) ITGA4ITGB7CTSBNOX4MEN1

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