SCHEMBL5880677

SCHEMBL5880677

CCCCCCCCc1ccc(-c2c3ccccc3c(Br)c3c(-c4ccccc4)cccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
RARB P10826 7/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
TLR8 Q9NR97 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP1B1 Q16678 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37
GPR3 P46089 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36

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
SCHEMBL9957347 0.85 CTSV (0.48) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL5880676 0.82 CTSV (0.44) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL10491604 0.80 HSD11B1 (0.55) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL10491901 0.80 HSD11B1 (0.55) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL27752304 0.79 CTSV (0.48) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL5599432 0.77 HSD11B1 (0.61) HSD11B1RARBALDH1A1MEN1RARA
SCHEMBL35867 0.77 HSD11B1 (0.61) HSD11B1RARBALDH1A1MEN1RARA
SCHEMBL14414377 0.77 HSD11B1 (0.43) HSD11B1CTSVCTSLRARBALDH1A1
SCHEMBL23819963 0.76 DHODH (0.47) HSD11B1CTSVCTSLRARBMEN1
SCHEMBL5418521 0.76 CTSV (0.52) HSD11B1CTSVCTSLRARBALDH1A1

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-7049011-B2 Organic electroluminescent device TDK CORPORATION (JP) 2006-05-23 US disclosed
US-20040048100-A1 Organic electroluminescent device TDK CORPORATION (JP) 2004-03-11 US disclosed