SCHEMBL608337

SCHEMBL608337

O=C1CCCC(=O)C1=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 5/20 1.00
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8220420 0.80 HPD (0.67) HPDMAPTMAPK1FLT1FLT4
Nitisinone SCHEMBL29372670 0.77 HPD (1.00) HPDMAPTMAPK1FLT1FLT4
Nitisinone SCHEMBL338795 0.77 HPD (1.00) HPDMAPTMAPK1FLT1FLT4
Nitisinone SCHEMBL15537279 0.77 HPD (1.00) HPDMAPTMAPK1FLT1FLT4
SCHEMBL442397 0.76 HPD (0.60) HPDMAPTFLT1FLT4KDR
SCHEMBL5452045 0.76 HPD (0.60) HPDMAPTMAPK1FLT1FLT4
Hydrochloric Acid SCHEMBL11776053 0.75 HPD (0.59) HPDMAPTFLT1FLT4KDR
Ammonia Solution, Strong SCHEMBL28953061 0.75 HPD (0.59) HPDMAPTFLT1FLT4KDR
SCHEMBL18212599 0.72 HPD (0.60) HPDMAPTMAPK1FLT1FLT4
SCHEMBL2323726 0.72 HPD (0.59) HPDMAPTFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-9187762-B2 Compositions and methods comprising sequences having hydroxyphenylpyruvate dioxygenase (HPPD) activity PIONEER HI-BRED INTERNATIONAL, INC. (US) 2015-11-17 US disclosed
EP-2603591-A1 COMPOSITIONS AND METHODS COMPRISING SEQUENCES HAVING HYDROXYPHENYLPYRUVATE DIOXYGENASE (HPPD) ACTIVITY Pioneer Hi-Bred International Inc. (US) 2013-06-19 EP disclosed
WO-2012021785-A1 COMPOSITIONS AND METHODS COMPRISING SEQUENCES HAVING HYDROXYPHENYLPYRUVATE DIOXYGENASE (HPPD) ACTIVITY PIONEER HI-BRED INTERNATIONAL, INC. (US) 2012-02-16 WO disclosed
US-20120042413-A1 Compositions And Methods Comprising Sequences Having Hydroxyphenylpyruvate Dioxygenase (HPPD) Activity PIONEER HI-BRED INTERNATIONAL, INC. (US) 2012-02-16 US disclosed