SCHEMBL13921998

SCHEMBL13921998

Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4C)c(C)c3)c3cc(C)c(-c4c(C)cc(N(c5ccc(-c6ccc(C)cc6C)c(C)c5)c5ccc(-c6ccc(C)cc6C)c(C)c5)cc4C)c(C)c3)cc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B1 P14061 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
APP P05067 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13049519 0.92 MAPT (0.37) PDE3BPDE3AGAAMAPTLMNA
SCHEMBL13049494 0.88 ESR2 (0.40) ESR2ESR1PDE3BPDE3AGAA
SCHEMBL14825137 0.86 MEN1 (0.32) ESR2ESR1MAPTMEN1KMT2A
SCHEMBL14981805 0.86 ALDH1A1 (0.38) ESR2ESR1MAPTHSD17B1MEN1
SCHEMBL11966921 0.86 ESR2 (0.39) ESR2ESR1PDE3BPDE3AGAA
SCHEMBL13049496 0.84 MAPT (0.41) PDE3BPDE3AGAAMAPTLMNA
SCHEMBL18286378 0.84 MEN1 (0.31) MAPTMEN1KMT2A
SCHEMBL14825133 0.83 ESR2 (0.33) ESR2ESR1MAPTHSD17B1MEN1
SCHEMBL18286368 0.83 HSD17B1 (0.33) ESR2ESR1MAPTHSD17B1MEN1
SCHEMBL13049487 0.83 MAPT (0.36) ESR2ESR1PDE3BPDE3AGAA

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-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed