SCHEMBL6916720

SCHEMBL6916720

CC1(C)CCCCC1CC(=O)O.[AlH3]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
UGT2B7 P16662 5/20 0.35
CYP1A2 P05177 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CDC25A P30304 1/20 0.31
LIPA P38571 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PNLIP P16233 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
SCHEMBL6916821 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6916012 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6914613 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6907841 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6914983 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6909051 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL6909055 0.96 GRM2 (0.37) GRM2GRM5GRM1UGT2B7CYP1A2
SCHEMBL29169852 0.84 LIPA (0.33) UGT2B7CYP2C19LIPA
SCHEMBL6914607 0.79 LIPA (0.31) LIPA
SCHEMBL6916818 0.79 LIPA (0.31) LIPA

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