SCHEMBL8618006

SCHEMBL8618006

CO/N=C1\CCSc2ccc(C(=O)O)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
MCL1 Q07820 1/20 0.32
RYR2 Q92736 1/20 0.31
CTSL P07711 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8618009 1.00 MAPT (0.39) MAPTGAAPOLBHPGDALDH1A1
SCHEMBL8871666 0.78 KDM4E (0.34) MAPTGAAPOLBALDH1A1KDM4E
SCHEMBL8871664 0.78 KDM4E (0.34) MAPTGAAPOLBALDH1A1KDM4E
SCHEMBL8616712 0.78 MAPT (0.34) MAPTGAAPOLBHPGDALDH1A1
SCHEMBL8616714 0.78 MAPT (0.34) MAPTGAAPOLBHPGDALDH1A1
SCHEMBL8871127 0.77 POLB (0.32) MAPTGAAPOLBHPGDALDH1A1
SCHEMBL8871124 0.77 POLB (0.32) MAPTGAAPOLBHPGDALDH1A1
SCHEMBL8548317 0.76 POLB (0.31) MAPTGAAPOLB
SCHEMBL8551338 0.76 POLB (0.31) MAPTGAAPOLB
SCHEMBL8620112 0.73 POLB (0.35) POLBALDH1A1MEN1KMT2ARYR2

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-5849926-A Pyrazole derivatives and herbicides containing the same IDEMITSU KOSAN CO., LTD. (JP) 1998-12-15 US disclosed
US-5756759-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
US-5591868-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN CO., LTD. (JP) 1997-01-07 US disclosed
EP-0728756-A1 PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-08-28 EP disclosed
US-5506194-A CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-09 US disclosed