SCHEMBL30901210

SCHEMBL30901210

NC(CCC(=O)O)COCCOCCOCCOCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 6/20 0.48
ANPEP P15144 3/20 0.48
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42

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
SCHEMBL15721727 0.86 ENPEP (0.41) ENPEPANPEPGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL29886814 0.84 ENPEP (0.40) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL16529705 0.82 ALDH1A1 (0.53) MEN1TSHRKMT2APLA2G2CALDH1A1
SCHEMBL12227799 0.78 ALDH1A1 (0.39) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL16333271 0.78 ENPEP (0.54) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL5195398 0.78 ENPEP (0.54) ENPEPANPEPGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL38659071 0.77 ALDH1A1 (0.38) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL24933273 0.76 GABRP (0.40) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL1766162 0.76 LMNA (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16134189 0.76 LMNA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777296-B Preparation method and application of B7H3 affibody and diagnosis and treatment nuclide marker thereof 北京肿瘤医院(北京大学肿瘤医院) 2024-05-28 CN disclosed