SCHEMBL8065672

SCHEMBL8065672

COc1cc(C2(c3ccc(N)c(OC)c3)CCCCC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EHMT2 Q96KQ7 3/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
HTT P42858 2/20 0.41
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.40
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL29813419 1.00 LMNA (0.49) LMNAALDH1A1CYP3A4L3MBTL1TSHR
SCHEMBL28232465 0.78 LMNA (0.54) LMNAALDH1A1L3MBTL1TSHREHMT2
SCHEMBL19268516 0.77 ESR1 (0.59) LMNAALDH1A1L3MBTL1TSHREHMT2
SCHEMBL17523062 0.77 ESR1 (0.59) LMNAALDH1A1L3MBTL1TSHREHMT2
SCHEMBL25620272 0.77 ESR1 (0.59) LMNAALDH1A1L3MBTL1TSHREHMT2
SCHEMBL12893200 0.77 LMNA (0.54) LMNAALDH1A1CYP3A4L3MBTL1TSHR
SCHEMBL12893198 0.77 LMNA (0.54) LMNAALDH1A1L3MBTL1TSHREHMT2
SCHEMBL806949 0.77 ESR1 (0.62) LMNAALDH1A1CYP3A4L3MBTL1TSHR
SCHEMBL14260413 0.76 LMNA (0.52) LMNAALDH1A1L3MBTL1TSHRESR1
SCHEMBL19863729 0.75 ESR1 (0.58) LMNAALDH1A1L3MBTL1TSHREHMT2

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
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed