SCHEMBL6915092

SCHEMBL6915092

O=C(O)c1cccc2cccc(I)c12.[GaH3]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CDC25B P30305 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 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
SCHEMBL6915097 1.00 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL1619337 0.98 HSD17B10 (0.64) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL29937467 0.98 HSD17B10 (0.64) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6914207 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6913636 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6914711 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6908518 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6916284 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
SCHEMBL6915226 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1
Hydrochloric Acid SCHEMBL30248139 0.96 HSD17B10 (0.62) HSD17B10NR4A1NR4A2NR4A3KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed