SCHEMBL8494775

SCHEMBL8494775

O=C(c1cc(C2CC2)on1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPD P32754 3/20 0.50
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
S1PR3 Q99500 4/20 0.39
S1PR1 P21453 2/20 0.39
KCNMA1 Q12791 1/20 0.39
POLB P06746 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
SCHEMBL8492588 0.81 HPD (0.51) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL8489225 0.79 HPD (0.47) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL8761919 0.78 HPD (0.46) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL8466191 0.78 HPD (0.44) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL3092594 0.78 MEN1 (0.52) MEN1KMT2AS1PR3S1PR1
SCHEMBL8495654 0.78 HPD (0.53) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL8489367 0.77 HPD (0.52) MEN1KMT2AHPDMAPTALDH1A1
SCHEMBL27626374 0.77 MEN1 (0.51) MEN1KMT2AS1PR3S1PR1
SCHEMBL8684025 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1S1PR3S1PR1
SCHEMBL8492322 0.73 PPARD (0.43) MEN1KMT2AHPDMAPTALDH1A1

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 2 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