SCHEMBL13809302

SCHEMBL13809302

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)cc(-c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RARA P10276 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
HPGD P15428 1/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL917953 0.94 RARB (0.56) RARBCA1CA2NISCHHSD17B10
SCHEMBL10042907 0.92 HSD11B1 (0.53) RARBCA1CA2AKR1C2AKR1C1
SCHEMBL11887122 0.90 RARB (0.56) RARBCA1CA2NISCHHSD17B10
SCHEMBL18903880 0.90 HSD11B1 (0.51) RARBCA1CA2AKR1C2AKR1C1
SCHEMBL23319637 0.90 RARB (0.60) RARBCA1CA2AKR1C2AKR1C1
SCHEMBL13808812 0.88 LPL (0.45) RARBCA2NISCHHSD17B10TSHR
SCHEMBL10042898 0.88 CA2 (0.59) RARBCA1CA2HSD17B10ALDH1A1
SCHEMBL10042894 0.87 HSD11B1 (0.58) RARBCA1CA2NISCHHSD17B10
SCHEMBL38667 0.87 RARB (0.54) RARBCA1CA2NISCHHSD17B10
SCHEMBL258192 0.87 RARB (0.50) RARBCA1CA2NISCHHSD17B10

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
EP-0949695-B1 Electroluminescent structure using blend systems STARCK H C GMBH (DE) 2009-06-17 EP disclosed