SCHEMBL10354142

SCHEMBL10354142

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.43
▸ SELP P16109 1/20 0.40
▸ HK1 P19367 2/20 0.38
▸ HK2 P52789 2/20 0.38
▸ SYNJ2 O15056 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GALK1 P51570 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ RIN1 Q13671 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
SCHEMBL9324213 0.94 TLR4 (0.48) TLR4SELPHK1HK2SYNJ2
SCHEMBL9324219 0.94 TLR4 (0.48) TLR4SELPHK1HK2SYNJ2
SCHEMBL10775868 0.94 TLR4 (0.48) TLR4SELPHK1HK2SYNJ2
SCHEMBL10775862 0.94 TLR4 (0.48) TLR4SELPHK1HK2SYNJ2
SCHEMBL10354481 0.93 TLR4 (0.52) TLR4SELP
SCHEMBL9624581 0.90 TLR4 (0.51) TLR4SELP
SCHEMBL9624577 0.90 TLR4 (0.51) TLR4SELP
SCHEMBL10354024 0.87 TLR4 (0.38) TLR4SELP
SCHEMBL9521826 0.85 MAPK1 (0.51) TLR4SELPSYNJ2
SCHEMBL9521833 0.85 MAPK1 (0.51) TLR4SELPSYNJ2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180608-B1 2,3-DIAMINO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE SANDOZ AG (CH) 1990-07-25 — — EP disclosed
US-4698331-A 2,3-diamino-2,3-didesoxyhexose derivatives and their use SANDOZ LTD. (CH) 1987-10-06 — — US disclosed
EP-0180608-A1 2,3-DIAMINO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE. SANDOZ AG (CH) 1986-05-14 — — EP disclosed
WO-1985004881-A1 2,3-DINAMO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE SANDOZ AG (CH) 1985-11-07 — — WO disclosed
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