SCHEMBL7008154

SCHEMBL7008154

COC1(OC2CCCCO2)C=CC(C=CC(=O)c2ccccc2)=C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
BCHE P06276 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SLC6A3 Q01959 2/20 0.33
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSPD1 P10809 1/20 0.32
TNFRSF1A P19438 1/20 0.32
HSPE1 P61604 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL27762378 0.84 MAPT (0.44) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL6534548 0.74 MAPT (0.43) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL1576591 0.73 TUBB4A (0.39) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL8480730 0.72 MAOB (0.40) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL29945646 0.70 MAPT (0.46) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL6270921 0.70 MAPT (0.46) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL28010219 0.68 RECQL (0.43) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL30385151 0.68 RECQL (0.43) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL25210278 0.68 MAPT (0.58) BCHEMAPTNPC1RAB9ALMNA
SCHEMBL25210277 0.68 MAPT (0.58) BCHEMAPTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032568-A4 PROCESS FOR THE PREPARATION OF ISOFLAVONES UNIV MICHIGAN STATE (US) 2003-03-05 EP disclosed
EP-1032568-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-09-06 EP disclosed
WO-2000015627-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-03-23 WO disclosed