SCHEMBL26030408

SCHEMBL26030408

CC(NC(=O)CCNCCOCCNCCC(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(=O)NCCS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1)C(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(=O)NCCS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 4/20 0.40
▸ GNB1 P62873 4/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RY4 P51582 1/20 0.36
▸ CHAT P28329 4/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CXCR4 P61073 5/20 0.33
▸ ELANE P08246 3/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL26030373 0.97 GNG2 (0.39) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708380 0.94 GNG2 (0.35) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708600 0.90 GNG2 (0.44) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL27057213 0.89 GNG2 (0.43) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708505 0.89 GNG2 (0.45) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL26029343 0.89 GNG2 (0.43) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL23138265 0.88 GNG2 (0.44) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708507 0.87 GNG2 (0.42) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708357 0.87 GNG2 (0.42) GNG2GNB1PHLPP2ALDH1A1CYP1A2
SCHEMBL19708511 0.87 GNG2 (0.40) GNG2GNB1PHLPP2ALDH1A1CYP1A2

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
US-11740241-B2 Construct including an anchor, an enzyme recognition site and an indicator region for detecting microbial infection in wounds SYNOVO GMBH (DE) 2023-08-29 — — US disclosed
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