SCHEMBL28829434

SCHEMBL28829434

CCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.67
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
CA2 P00918 2/20 0.58
CA1 P00915 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 1/20 0.57
RARA P10276 1/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 1/20 0.56
HSD11B1 P28845 1/20 0.55
ESR1 P03372 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
TACR2 P21452 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54

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
SCHEMBL5551587 1.00 RARB (0.67) RARBHSD17B10TSHRCA2CA1
SCHEMBL28900119 0.97 RARB (0.64) RARBHSD17B10TSHRCA2CA1
SCHEMBL7513802 0.93 RARB (0.60) RARBHSD17B10TSHRCA2CA1
SCHEMBL23319637 0.93 RARB (0.60) RARBHSD17B10TSHRCA2CA1
SCHEMBL31549867 0.92 RARB (0.68) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL10379965 0.92 RARB (0.68) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL83869 0.91 CA2 (0.65) RARBHSD17B10CA2CA1ALDH1A1
SCHEMBL402463 0.91 HSD11B1 (0.68) RARBHSD17B10TSHRCA2CA1
SCHEMBL2492800 0.91 RARB (0.58) RARBHSD17B10TSHRCA2CA1
SCHEMBL9158283 0.91 HSD11B1 (0.68) RARBHSD17B10TSHRCA2CA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102484923-B Light-emitting component, light-emitting device and manufacture method thereof SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) 2016-05-04 CN disclosed