SCHEMBL29454860

SCHEMBL29454860

O=C(CN(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)NCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ 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
SCHEMBL25243911 1.00 MMP13 (0.44) MMP13LGALS8EPHX2MAOBSYNJ2
SCHEMBL30392241 0.98 MMP13 (0.43) MMP13LGALS8EPHX2MAOBSYNJ2
SCHEMBL29415360 0.98 MMP13 (0.43) MMP13LGALS8EPHX2MAOBSYNJ2
SCHEMBL25417921 0.98 MMP13 (0.43) MMP13LGALS8EPHX2MAOBSYNJ2
SCHEMBL30391847 0.92 LGALS8 (0.41) MMP13LGALS8EPHX2MAOB
SCHEMBL30891356 0.92 LGALS8 (0.41) MMP13LGALS8EPHX2MAOB
SCHEMBL30391867 0.91 LMNA (0.43) MMP13LGALS8MAOBSYNJ2MGMT
SCHEMBL20510638 0.91 LGALS8 (0.43) MMP13LGALS8MAOBSYNJ2KDM4E
SCHEMBL15130853 0.91 MMP13 (0.47) MMP13LGALS8EPHX2MAOB
SCHEMBL30891291 0.90 MMP13 (0.44) MMP13LGALS8EPHX2MAOB

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
EP-3980052-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2022-04-13 — — EP disclosed
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