SCHEMBL1708237

SCHEMBL1708237

Cc1c(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)cccc1-n1c([C@H]2CCCO2)nc2cc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.34
MAPT P10636 2/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHFR P00374 1/20 0.30
MCHR1 Q99705 1/20 0.30
PTGES O14684 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
SCHEMBL1708304 0.94 MAPT (0.32) APLNRMAPTBRD4CREBBPKDM4E
SCHEMBL1708060 0.92 MAPT (0.32) APLNRMAPTBRD4CREBBPKDM4E
SCHEMBL1708420 0.92 L3MBTL1 (0.36) APLNRMAPTMEN1ALDH1A1GAA
SCHEMBL1708368 0.91 LMNA (0.33) MAPTMEN1GAAPKMKMT2A
SCHEMBL1708079 0.89 ALOX5AP (0.33)
SCHEMBL10009690 0.88 FFAR1 (0.39) MAPT
SCHEMBL10291236 0.88 FFAR1 (0.39) MAPT
SCHEMBL10291831 0.87 FFAR1 (0.34) APLNRMAPT
SCHEMBL3799725 0.82 DHFR (0.33) APLNRMAPTKDM4EMEN1ALDH1A1
SCHEMBL10010762 0.82 FFAR1 (0.39) MAPT

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed