SCHEMBL14841979

SCHEMBL14841979

CC(C)CCOc1cccc(OCCC(C)C)c1-c1c2nc(cc3ccc([nH]3)c(-c3c(OCCC(C)C)cccc3OCCC(C)C)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ MCHR1 Q99705 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34

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
SCHEMBL14841716 0.92 STAT3 (0.41) STAT3STAT1MCHR1TLR8IDO1
SCHEMBL5100067 0.84 STAT3 (0.47) STAT3STAT1MCHR1IDO1
SCHEMBL30733335 0.84 STAT3 (0.47) STAT3STAT1MCHR1TLR8MAPT
SCHEMBL14841921 0.82 STAT3 (0.50) STAT3STAT1GABRPGABRDGABRA1
SCHEMBL14848833 0.80 STAT3 (0.45) STAT3STAT1MCHR1TLR8HTT
SCHEMBL31409740 0.80 STAT3 (0.49) STAT3STAT1HTR1A
SCHEMBL14848838 0.79 STAT3 (0.44) STAT3STAT1MCHR1TLR8HTT
Zinc Ion SCHEMBL31409746 0.79 STAT3 (0.48) STAT3STAT1HTR1A
Zinc Ion SCHEMBL31409747 0.79 STAT3 (0.48) STAT3STAT1HTR1A
SCHEMBL15282931 0.75 STAT3 (0.44) STAT3STAT1TLR8GABRA1GABRG2

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
US-20130090469-A1 GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-04-11 — — US disclosed
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