SCHEMBL25129089

SCHEMBL25129089

CC(C)C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.38
▸ NAALAD2 Q9Y3Q0 2/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33
▸ GABRG3 Q99928 2/20 0.33
▸ GABRQ Q9UN88 2/20 0.33
▸ BMP1 P13497 1/20 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
SCHEMBL21074906 0.85 PSMB5 (0.46) FOLH1NAALAD2RIMKLABMP1PSMB5
SCHEMBL25129090 0.85 FOLH1 (0.40) FOLH1NAALAD2RIMKLABMP1GGH
SCHEMBL25128950 0.85 PSMB5 (0.36) PSMB5
SCHEMBL25128949 0.82 FOLH1 (0.38) FOLH1NAALAD2RIMKLABMP1GGH
SCHEMBL24622228 0.82 HPGDS (0.41) FOLH1NAALAD2RIMKLA
SCHEMBL20131935 0.76 FOLH1 (0.33) FOLH1NAALAD2RIMKLABMP1
SCHEMBL14113357 0.75 LMNA (0.42) FOLH1NAALAD2RIMKLAGABRPGABRD
SCHEMBL20131933 0.75 MMP1 (0.36) FOLH1NAALAD2RIMKLABMP1
SCHEMBL29768873 0.73 FOLH1 (0.33) FOLH1NAALAD2RIMKLA
SCHEMBL6427494 0.72 FOLH1 (0.64) FOLH1NAALAD2RIMKLAGGH

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
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
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