SCHEMBL413363

SCHEMBL413363

CC(C)CC(C)CC(C)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.45
FOLH1 Q04609 2/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2170368 0.96 PLA2G10 (0.47) PLA2G10FOLH1GABRPGABRDGABRA1
SCHEMBL14359840 0.87 GABRP (0.48) PLA2G10GABRPGABRDGABRA1GABRB1
SCHEMBL23499632 0.84 CYP1A2 (0.52) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL440516 0.83 ALDH1A1 (0.48) PLA2G10SLC22A6TSHRAKR1B1
SCHEMBL14360304 0.83 GABRP (0.40) PLA2G10FOLH1GABRPGABRDGABRA1
SCHEMBL5879109 0.82 BLM (0.53) PLA2G10LMNAGSTK1BLMTSHR
SCHEMBL759816 0.82 GABRP (0.52) PLA2G10FOLH1GABRPGABRDGABRA1
SCHEMBL5532774 0.82 GABRP (0.52) PLA2G10FOLH1GABRPGABRDGABRA1
SCHEMBL14360701 0.82 LMNA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2574528 0.80 MAPT (0.50) PLA2G10SLC22A6TSHRAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188030-B2 Fabric softener compositions and methods of manufacture thereof SEGETIS, INC. (US) 2012-05-29 US disclosed
US-8188030-B2 Fabric softener compositions and methods of manufacture thereof SEGETIS, INC. (US) 2012-05-29 US disclosed
US-20120065113-A1 FABRIC SOFTENER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF SEGETIS, INC. (US) 2012-03-15 US disclosed
US-20120065113-A1 FABRIC SOFTENER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF SEGETIS, INC. (US) 2012-03-15 US disclosed