SCHEMBL27985207

SCHEMBL27985207

CC(C)C(C)CCC(=O)O.CC(C)CC(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 1/20 0.41
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 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
SCHEMBL16331428 0.91 FOLH1 (0.36) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL760414 0.82 GABRP (0.56) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL5536469 0.82 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL244922 0.82 GABRP (0.56) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL968570 0.82 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3783223 0.80 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ammonia Solution, Strong SCHEMBL28027924 0.80 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14359837 0.78 GABRP (0.48) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL2171052 0.78 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5532774 0.78 GABRP (0.52) FOLH1GABRPGABRDGABRA1GABRB1

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
CN-107868635-A Adhesion agent composition and adhesive film 藤森工业株式会社 2018-04-03 CN disclosed
CN-104114683-B Refrigerator oil composition, method for producing same, and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP. (JP) 2016-01-06 CN disclosed
CN-104114683-A Refrigerator oil composition, method for producing same, and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP 2014-10-22 CN disclosed