SCHEMBL5050240

SCHEMBL5050240

CC(C#N)CCC(=O)O.[Na].[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.44
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39

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
Water SCHEMBL28240439 0.98 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL35490 0.98
SCHEMBL28018620 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL27835689 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27782375 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL1024331 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30725511 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL27544998 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7043007 0.95 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL28217929 0.95 GABRP (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105885816-A Novel drag reducer for fracturing 黑龙江勇峰化工添加剂有限公司 2016-08-24 CN disclosed
US-7318995-B2 Heating precusor to induce coalescence of polymer particles at exposed areas of coating; developing by applying a gum solution, removing non-exposed areas of coating from support AGFA GRAPHICS NV (BE) 2008-01-15 US disclosed
EP-1642714-B1 Method of making a negative-working lithographic printing plate. AGFA GRAPHICS NV (BE) 2007-10-24 EP disclosed
US-20060073418-A1 Heating precusor to induce coalescence of polymer particles at exposed areas of coating; developing by applying a gum solution, removing non-exposed areas of coating from support AGFA-GEVAERT (BE) 2006-04-06 US disclosed
EP-1642714-A1 Method of making a negative-working lithographic printing plate. Agfa-Gevaert (BE) 2006-04-05 EP disclosed