SCHEMBL9828840

SCHEMBL9828840

CCOC(C)COc1ccc(CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
PPARA Q07869 3/20 0.38
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5702052 0.86 NPC1 (0.43) NQO1PPARANPC1LMNATDP1
SCHEMBL7362624 0.84 NQO1 (0.40) NQO1PPARATDP1MEN1KMT2A
SCHEMBL12261462 0.82 MAPT (0.47) NQO1PPARATDP1MEN1MAPT
SCHEMBL2769199 0.80 MAPT (0.49) NPC1LMNAMEN1MAPTALOX12
SCHEMBL9237800 0.79 FFAR1 (0.48) NQO1LMNATDP1MEN1MAPT
SCHEMBL9633680 0.79 LTA4H (0.53) NQO1PPARALMNAMEN1KMT2A
SCHEMBL12269248 0.78 LMNA (0.57) NPC1LMNAMAPK1
SCHEMBL3720666 0.77 NQO1 (0.67) NQO1LMNATDP1MAPTKDM4E
SCHEMBL10695387 0.77 LMNA (0.54) PPARALMNAMAPTPPARGPPARD
SCHEMBL6272310 0.77 LMNA (0.37) LMNATDP1MEN1MAPTALOX12

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
EP-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 EP disclosed
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 US disclosed