SCHEMBL12427680

SCHEMBL12427680

C[C@H](/C=C/[C@H](C)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
SLC7A5 Q01650 2/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33

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
SCHEMBL18168769 1.00 TP53 (0.47) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL6649754 1.00 TP53 (0.47) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL6649752 1.00 TP53 (0.47) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL10062317 0.91 TP53 (0.40) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL31161211 0.91 TP53 (0.47) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL12257191 0.86 GABRP (0.54) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL15447562 0.84
SCHEMBL5411171 0.84
SCHEMBL873697 0.84
SCHEMBL5411166 0.84

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-7981968-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-19 US disclosed
US-7750084-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method for manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-06 US disclosed
US-20090253870-A1 Photoresponsive polymer,built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-10-08 US disclosed