SCHEMBL8086813

SCHEMBL8086813

CC(C)CCC(=O)O.CCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.38
ACE P12821 2/20 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
Propylene Oxide SCHEMBL8086427 0.82 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Propionic Acid SCHEMBL11599557 0.78 FFAR3 (0.50) CYP1A2FFAR3HDAC3HDAC1HDAC2
SCHEMBL27729081 0.77 ALDH1A1 (0.31) FFAR3HDAC3HDAC1HDAC2HDAC8
Propane SCHEMBL11547333 0.77 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25603 0.77
SCHEMBL285223 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
Lactic Acid SCHEMBL11599191 0.76 TP53 (0.48) HDAC1HDAC2
Oxirane SCHEMBL8084870 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Glycolic Acid SCHEMBL8987465 0.76 ALDH1A1 (0.35) CYP1A2FFAR3HDAC3HDAC1HDAC2
SCHEMBL8741776 0.75

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
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed