SCHEMBL28052096

SCHEMBL28052096

[CH2]CC(CCC(=O)O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
CYP1A2 P05177 2/20 0.40
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3820503 0.85 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL653330 0.81 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11417018 0.80 AKR1B1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28634074 0.77 FFAR4 (0.53) MEN1TSHRKMT2AFFAR4AKR1B1
SCHEMBL10134701 0.77 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28880207 0.76 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7258476 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2800518 0.75
SCHEMBL24653181 0.74 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1247185 0.74 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683827-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal alignment element 日产化学工业株式会社 2016-06-15 CN disclosed
CN-102471553-B Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO.,LTD. (JP) 2016-02-10 CN disclosed