SCHEMBL11218751

SCHEMBL11218751

O=C(O)/C=C/C(C(=O)O)C(=O)O

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
TSHR P16473 4/20 0.47
TP53 P04637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47

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
SCHEMBL2553763 0.84 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8000398 0.79 ALDH1A1 (0.38) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL10499395 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29956544 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12139574 0.73 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18153793 0.73 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3125276 0.73 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Fumaric Acid SCHEMBL16949820 0.71
Maleic Acid SCHEMBL16949819 0.71
SCHEMBL13324618 0.71

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-3785315-A1 PARTICULATE SILICON-CONTAINING ACTIVE MATERIAL, NEGATIVE ELECTRODE, LITHIUM-ION BATTERY CELL, VEHICLE AND PROCESS FOR PRODUCING ACTIVE MATERIAL AND ELECTRODE VOLKSWAGEN AKTIENGESELLSCHAFT (DE) 2021-03-03 EP claimed
US-4330459-A Method of manufacturing foundry sand molds KURARAY COMPANY, LTD. (JP) 1982-05-18 US claimed