SCHEMBL6917022

SCHEMBL6917022

CC1(C(=O)O)CCCC1.[Tl]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.72
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 3/20 0.37
AKR1C1 Q04828 1/20 0.34
CETP P11597 2/20 0.32
NFKB1 P19838 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
TP53 P04637 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
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6914419 0.97 FFAR3 (0.68) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL59896 0.97
SCHEMBL13341342 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL6913837 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL13075808 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL25213839 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL60503 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL6908415 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL18449 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1
SCHEMBL14627497 0.94 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19AKR1C1

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