SCHEMBL1708060

SCHEMBL1708060

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
TP53 P04637 2/20 0.32
APLNR P35414 9/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NTRK1 P04629 1/20 0.31
MCHR1 Q99705 1/20 0.30
DHFR P00374 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPV1 Q8NER1 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) MAPTTP53APLNRBRD4CREBBP
SCHEMBL1708237 0.92 APLNR (0.34) MAPTAPLNRBRD4CREBBPMCHR1
SCHEMBL1708420 0.92 L3MBTL1 (0.36) MAPTTP53APLNRMCHR1ALDH1A1
SCHEMBL1708368 0.92 LMNA (0.33) MAPTGAAHTTSMN1; SMN2TRPV1
SCHEMBL1708079 0.90 ALOX5AP (0.33) TRPV1
SCHEMBL10009394 0.88 FFAR1 (0.39) MAPTTP53
SCHEMBL10292326 0.88 FFAR1 (0.39) MAPTTP53
SCHEMBL10291238 0.87 FFAR1 (0.35) MAPTTP53APLNR
SCHEMBL10010762 0.82 FFAR1 (0.39) MAPT
SCHEMBL3791750 0.81 DHFR (0.33) MAPTTP53APLNRDHFR

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