SCHEMBL6918753

SCHEMBL6918753

CC1(C(=O)O)CCCCC1.[AlH3]

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.68
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 2/20 0.41
CETP P11597 2/20 0.35
P2RX7 Q99572 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
AKR1C1 Q04828 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CCR2 P41597 1/20 0.33
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 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
SCHEMBL19322861 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL11922843 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL6908415 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL13075808 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL18449 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL25213839 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL13341342 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL14627497 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL60503 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP
SCHEMBL13075127 0.97 FFAR3 (0.72) FFAR3ALDH1A1SMN1; SMN2CYP2C19CETP

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