SCHEMBL5163825

SCHEMBL5163825

NCC(CCC(=O)O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.40
ENPEP Q07075 4/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 2/20 0.38
GRM8 O00222 1/20 0.38

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
SCHEMBL7121408 0.88 ANPEP (0.42) ANPEPENPEPGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL445838 0.86 ANPEP (0.41) ANPEPENPEPGABRPGABRDGABRA1
SCHEMBL8961847 0.80 LMNA (0.41) CYP1A2CYP2D6NFKB1BLMLMNA
SCHEMBL9295335 0.77 ALDH1A1 (0.32) LMNATSHR
SCHEMBL18281187 0.76
SCHEMBL9079401 0.74 PRMT1 (0.46) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL9079052 0.74 PRMT1 (0.46) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL7560425 0.74 PRMT1 (0.46) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL9079383 0.74 PRMT1 (0.46) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL16343267 0.74 LMNA (0.38) LMNATSHR

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
EP-1755548-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING TOCOPHEROL DERIVATIVE, ASCORBIC ACID DERIVATIVE AND SURFACE ACTIVE AGENT HAVING LIPOPEPTIDE STRUCTURE Showa Denko K.K. (JP) 2007-02-28 EP disclosed
WO-2005102267-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING TOCOPHEROL DERIVATIVE, ASCORBIC ACID DERIVATIVE AND SURFACE ACTIVE AGENT HAVING LIPOPEPTIDE STRUCTURE SHOWA DENKO K.K. (JP) 2005-11-03 WO disclosed