SCHEMBL8491981

SCHEMBL8491981

CSc1ccc(C(=O)c2c(C(=O)OCc3ccc([N+](=O)[O-])cc3)noc2C2CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL8492757 0.88 FTO (0.39) RAB9AL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL8488994 0.88 MAPT (0.40) RAB9ASMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL8488359 0.84 ALDH1A1 (0.37) NPSR1ALDH1A1MAPTTDP1KDM4E
SCHEMBL8496033 0.81 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL8488228 0.81 KDM4E (0.35) RAB9ASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL8493394 0.81 NR1H4 (0.36) RAB9ASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL8492065 0.79 THRB (0.40) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL8492238 0.79 HPGD (0.33) SMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL8492682 0.78 SMURF2 (0.40) RAB9ASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL8491936 0.77 NR1H4 (0.33) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed