SCHEMBL8488154

SCHEMBL8488154

CSc1ccc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.44
CRACR2A Q9BSW2 3/20 0.37
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
THRB P10828 1/20 0.34
PIM1 P11309 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
AGTR1 P30556 1/20 0.34
CCKBR P32239 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL8492821 0.88 DHODH (0.42) DHODHCRACR2AEPHX2SMN1; SMN2NPC1
SCHEMBL8888473 0.84 DHODH (0.36) DHODHCRACR2AEPHX2SMN1; SMN2LMNA
SCHEMBL8488312 0.84 HPGD (0.36) DHODHCRACR2ASMN1; SMN2NPC1LMNA
SCHEMBL8891645 0.84 SLC6A2 (0.36) DHODHEPHX2SMN1; SMN2CYP2C9SLC6A2
SCHEMBL8494998 0.83 HPGD (0.40) DHODHSMN1; SMN2NPC1LMNAHTT
SCHEMBL8488941 0.83 DHODH (0.36) DHODHCRACR2AEPHX2SMN1; SMN2NPC1
SCHEMBL8494851 0.83 DHODH (0.53) DHODHCRACR2AEPHX2SMN1; SMN2NPC1
SCHEMBL9116214 0.83 DHODH (0.44) DHODHCRACR2AEPHX2KMT2AAR
SCHEMBL8494970 0.82 HPGD (0.35) DHODHSMN1; SMN2RAB9ANPSR1HPGD
SCHEMBL8492789 0.82 DHODH (0.44) DHODHSMN1; SMN2TP53CYP1A2CYP2C19

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 7 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-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 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
EP-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP disclosed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP disclosed