SCHEMBL6916490

SCHEMBL6916490

CC1CCCC(C)(C(=O)O)C1.[Hg]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
FFAR3 O14843 1/20 0.44
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APLNR P35414 1/20 0.31

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
SCHEMBL5806204 0.98 CYP1A2 (0.52) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL18069837 0.98 CYP1A2 (0.52) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL18306290 0.98 CYP1A2 (0.52) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6917052 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6915234 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6917384 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6915405 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6917387 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6916683 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1
SCHEMBL6915246 0.96 CYP1A2 (0.50) CYP1A2FFAR3MAPK1TP53NFKB1

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